Veröffentlichung Dr. Quapp

Dr.Wolfgang Quapp: Liste der wissenschaftlichen Arbeiten


(In Klammern [..] ist angegeben, wie oft die Arbeit etwa zitiert wurde.)

Sum of citationes of WQ

Buch: D.Heidrich, W.Kliesch, W.Quapp
"Properties of Chemical Interesting Potential Energy Surfaces" [140 times cited]
Springer, Lecture Notes in Chemistry 56, Berlin, 1991


Please have a look at my papers. The most recent ones are at the end of this list. For the recent papers, we included links to the full article PDF files (if available). The full article PDF files will be available if you have the relevant journal subscription. If you do not have access to the full article, please feel free to email   Wolfgang for a copy.

Zeitschriften

1986 | 1987 | 1988 | 1989 | 1990 | 1991 | 1993 | 1994 | 1995 | 1996 | 1997 | 1998 | 1999 | 2000 | 2001 | 2002 | 2003 | 2004 | 2005 | 2006 | 2007 | 2008 | 2009 | 2010 | 2011 | 2012 | 2013 | 2014 | 2015 | 2016 | 2017 | 2018 | 2019 | 2020 | 2021 | 2022 | 2023 | 2024 |

1983

1. W.Quapp, B.Fiedler:       Stud.Texte Künstl.Intelligenz, TU Dresden, H65, (1983) 104-109, citations [2]
"Anwendung des REDUCE-Integrators zur Bestimmung von Näherungen exakter singularitätenfreier Lösungen einer Feldgleichung 4.Ordnung der allgemeinen Relativitätstheorie"

1984 2. W.Quapp, D.Heidrich:      Wiss.Z.Karl-Marx-Univ.Leipz. 33, (1984) 410-417, citations [4]
"Wege auf Potentialhyperflächen chemisch reagierender Systeme und das Massenwichtungsproblem"
3. W.Quapp, D.Heidrich:      Theoret.Chim.Acta 66, (1984) 245-260, citations [160]
"Analysis of the concept of minimum energy path on the potential energy surface of chemical reacting systems"
Abstract, and *.pdf Scans of the paper: link
Artikel im PDF Format: download             Inlay: citation history of the paper for 20 years
1986 4. D.Heidrich, W.Quapp:       Theoret.Chim.Acta 70, (1986) 89-98, citations [58]
"Saddle points of index 2 on PES and their role in theoretical reactivity investigations"
Artikel im PDF Format: download

1987 5. W.Quapp:       J.Mol.Spectrosc. 125, (1987) 122-127, citations [38]
"A redefined anharmonic PES of HCN"

1988 6. W.Quapp, D.Heidrich:       Infrared Phys. 28, (1988) 83-89, citations [6]
"Interpretation of the IR spectral intensity anomaly of HCN by PES bifurcation along a normal coordinate"

1989 7. W.Quapp:       Appl.Phys.B 48, (1989) 257-260, citations [4]
"An assignment of some lines of the HCN gas microwave laser along the path of internal vibrational energy redistribution (IVR)"

8. W.Quapp:       Theoret.Chim.Acta 75, (1989) 447-460, citations [102]
"Gradient extremals and valley floor bifurcations on PES"
Abstract, and *.pdf Scans of the paper: link
Artikel im PDF Format: download

9. W.Quapp, S.Ferner, R.Salzer:       Z.phys.Chem.,Leipz. 270, (1989) 1245-1248
"Bestimmung des Bandenformindex mittels Voigtfunktion"

1990 10. W.Quapp, H.Dachsel, D.Heidrich:       J.Mol.Struct.(Theochem) 250, (1990) 245-259, citations [7]
"Mass weighting problem of PES for chemical reactions: dissociation and isomerization pathway of HCN"
Artikel (Copy) im PDF Format: download

11. W.Quapp:       J.Mol.Struct. 218, (1990) 261-266, citations [3]
"Internal vibrational energy redistribution and vibrationally induced nonlinearity of HCN"
(This was a false speculation.)

1991 12. H.Dachsel, W.Quapp:       J.Math.Chem. 6, (1991) 77-90, citations [5]
"An analytical computation of Christoffel symbols for reaction coordinate and trajectory treatments under internal coordinates"
Artikel im PDF Format: download

1993 13. W.Quapp, B.P.Winnewisser:       J.Math.Chem. 14, (1993) 259-285, citations [29]
"What you thought you already knew about the bending motion of triatomic molecules"
Artikel im PDF Format: download

14. W.Quapp, S.Albert, B.P.Winnewisser, M.Winnewisser:       J.Molec.Spectrosc. 160, 540-553 (1993), citations [22]
"The FT-IR Spectrum of HC15NO: The   v1, v2, 2 v3, and   v2+ v3 Band Systems"
Abstract of the paper: Abstract Artikel im PDF Format: download

1994 15. W.Quapp:       J.Chemical Society, Faraday Trans.90 No.12, (1994) 1607-1609, citations [27]
"Bifurcation of gradient extremal paths on potential energy surfaces"
in section: "General Discussion", PDF Format: download

16. H.Dachsel, D.Sosna, W.Quapp:       J.Mol.Struct,THEOCHEM 315, (1994) 35-42, citations [6]
"An approach to a realistic visualization of curvilinear molecular vibrations"
The paper is a part of the Dissertation (Ph.D. thesis) of H.Dachsel at the Faculty of Chemistry, University Leipzig, 1992.
Artikel im PDF Format: download
17. W.Quapp, S.Klee, G.Mellau, S.Albert, A.Maki:     J.Mol.Spectr. 167, 375-382(1994), citations [28]
"Fourier transform spectra of overtone bands of HCN from 4800 to 9600cm-1 - Some new transitions of bending combination modes"
Abstract of the paper: Abstract
Artikel im PDF Format: download

1995 18. W.Quapp,       in: The Reaction Path in Chemistry, (Ed.: D.Heidrich), Kluwer Academic Press, Dordrecht, 1995, p.95-108, citations [16]
"The invariance of reaction paths description in any coordinate system"
Abstract of the paper: Abstract
PDF-Prospect of the book: download
Introduction of the book
Book review by Tibor Berces in: React.Kinet.Catal.Lett. 58, (1996) 417-419     download
Book review by Olle Matsson, Int. J. Quant. Chem. 65 (1997) S.375     download
Book review by Tom Ziegler, J. Am. Chem. Soc. 119 (1997) S.1498     download

See also the reference published on the Springer page:. link

19. W.Quapp, O.Imig, D.Heidrich:       in: The Reaction Path in Chemistry, (Ed.: D.Heidrich), Kluwer Academic Press, Dordrecht, 1995, p.137-160, citations [36]
"Gradient extremals and their relation to the minimum energy path"
Abstract of the paper: Abstract
PDF-Prospect of the book: download
Introduction of the book
Book review by Tibor Berces in: React.Kinet.Catal.Lett. 58, (1996) 417-419 download
Book review by Olle Matsson, Int. J. Quant. Chem. 65 (1997) S.375     download
Book review by Tom Ziegler, J. Am. Chem. Soc. 119 (1997) S.1498     download

20. A.Maki, W.Quapp, S.Klee:       J.Molec.Spectrosc. 171, (1995) 420-434, citations [69]
"Intensities of Hot Band Transitions: HCN Hot Bands"
Abstract of the paper: Abstract
Artikel im PDF Format: download
21. A.Maki, W.Quapp, S.Klee, G.Mellau, S.Albert:       J.Molec.Spectrosc. 174, (1995) 365-378, citations [56]
"The CN mode of HCN: A Comparative Study of the Variation of the Transition Dipole and the Herman-Wallis Constants for seven isotopomers and the influence of vibration-rotation interaction"
Abstract of the paper: Abstract
Artikel im PDF Format: download
1996 22. W.Quapp:       Chemical Physics Letters 253 (1996) 286-292, citations [54]
"A gradient-only algorithm for tracing a reaction path uphill to the saddle of a potential energy surface"
Abstract of the paper:+ Abstract
link to CPL: Abstract
23. A.Maki, W.Quapp, S.Klee, G.Mellau, S.Albert:       J.Molec.Spectrosc. 180, (1996) 323-336, citations [89]
"Infrared Transitions of H12C14N and H12C15N between 500 and 10000cm-1"
Abstract of the paper: Abstract
Artikel im PDF Format: download
1997 24. Ruslan M.Minyaev, W.Quapp, Govindan Subramanian, Paul von Ragué Schleyer, Yirong Mo:       J.Computat.Chem. 18 no.14 (1997) 1792-1803, citations [24]
"Internal Con-Rotation and Dis-Rotation in H2BCH2BH2 and Diborylmethylene 1,3-H Shift"
Artikel im PDF Format: download
25. A.Maki, W.Quapp, S.Klee, G.Mellau, S.Albert:       J.Molec.Spectrosc. 185, (1997) 356-369, citations [28]
"Intensity Measurements of l > 1  Transitions of Several Isotopomers of HCN"
Abstract of the paper: Abstract
Artikel im PDF Format: download
1998 26. W.Quapp, A.Maki, S.Klee, G.Mellau:       J.Molec.Spectrosc. 187, (1998) 126-130, citations [9]
"Infrared Spectrum of   15N13C13C15N near 2100cm-1"
Abstract of the paper: Abstract
Artikel im PDF Format: download
27. W.Quapp, M.Hirsch, O.Imig, D.Heidrich:       J.Comput.Chem. 19(1998) 1087-1100, citations [214]
"Searching for Saddle Points of Potential Energy Surfaces by Following a Reduced Gradient"
Artikel im PDF Format: download
Note: the RGF-program (it means reduced gradient following, later named Newton Trajectory) is (a small) part of the COLUMBUS program system, as well as of the MOLPRO program system.
28. W.Quapp, M.Hirsch, D.Heidrich:       Theor.Chem.Acc. 100 (1998) No 5/6, 285-299, citations [160]
Bifurcation of Reaction Pathways: the Set of Valley-Ridge-Inflection Points of a Simple 3-dimensional Potential Energy Surface"
Artikel im PDF Format: download
Abstract of the paper: Abstract
1999 29. W.Quapp, M.Hirsch, G.Mellau, S.Klee, M.Winnewisser, A.Maki:       J.Molec.Spectrosc. 195, (1999) 284-298, citations [37]
"Climbing the Bending Vibrational Ladder in D13C15N by Hot Gas Emission Spectroscopy"
Abstract of the paper: Abstract
Artikel im PDF Format: download
Addendum 1 im PDF Format: download : Line Positions of Assigned Rovibrational Transitions of D13C15N (501 KB)
Addendum 2 WIN-ZIP Format: download : Plot of the Emission Measurement of D13C15N and H13C15N (262 KB)
30. M.Hirsch, W.Quapp, D.Heidrich:       Phys.Chem.Chem.Phys. 1, No.23 (1999) 5291-5299, citations [60]
"The Set of Valley-Ridge-Inflection Points of the Potential Energy Surface of Water"
Abstract of the paper: Abstract
Artikel im PDF Format: download
2000 31. A. Maki, G.Ch. Mellau, S. Klee, M. Winnewisser, W.Quapp:       J.Molec.Spectrosc.202,(2000) 67-82, citations [119]
"High-Temperature Infrared Measurements in the Region of the Bending Fundamental of H12C14N, H12C15N, and H13C14N"
Abstract of the paper: Abstract
Artikel im PDF Format: download
Addendum-READ-ME in ASCI: read
Addendum 1 in ASCI: read : Line Positions of Assigned Rovibrational Transitions of H12C14N (1032 KB)
Addendum 2 in ASCI: read : Line Positions of Assigned Rovibrational Transitions of H13C14N (671 KB)
Addendum 3 in ASCI: read : Line Positions of Assigned Rovibrational Transitions of H12C15N (638 KB)
32. Pinaki Chaudhury, S.P. Bhattacharyya, W.Quapp:       Chem.Physics 253 No.2-3 (2000) 295-303, citations [35]
"A Genetic Algorithm based technique for locating first order saddle points using a gradient dominated recipe"
Artikel im PDF Format: download
Abstract of the paper: Abstract

33. W.Quapp, M.Hirsch, D.Heidrich:       Theor. Chem. Acc. 105 (2000) 145-155, citations [39]
"Following the Streambed Reaction on Potential Energy Surfaces: A New Robust Method"
Artikel im PDF Format: download
Abstract of the paper: Abstract
  • Test a FORTRAN program for a 2-dimensional surface: find a gradient extremal! Download: 2Dversion of TASC

  • 2001 34. W.Quapp:       Computers and Mathem. with Applic. 41 No. 3/4, (2001) 407-414, citations [14],
    see: http://www.elsevier.nl/locate/camwa
    "Searching Minima of an N-dimensional Surface: A Robust Valley Following Method"
    Abstract of the paper: Abstract Artikel im PDF Format: download
    35. W.Quapp:       J. Chem. Physics,114 Issue 1 (2001) 609-610, citations [11]
    "Comment on ''Critical points and reaction paths characterization on a potential energy hypersurface'' [J. Chem. Phys. 112, 4923 (2000)]"
    Artikel im PDF Format: download
    36. W.Quapp:       J. Computat. Chem. 22 (2001) 537-540, citations [30]
    "Comment "On the Quadratic Reaction Path Evaluated in a Reduced Potential Energy Surface Model and the Problem to Locate Transition States"
    [ by J.M.Anglada, E.Besalu, J.M.Bofill, and R.Crehuet, J Comput Chem 2001, 22, 4, 387-406]"
    Artikel im PDF Format: download
    37. W.Quapp, V.Melnikov:       Phys.Chemistry Chem.Physics 3, (2001) 2735-2741, citations [35]
    "Valley-Ridge-Inflection Points of the Potential Energy Surface of H2S, H2Se, and H2CO"
    Abstract of the paper: Abstract
    Artikel im PDF Format: download
    Addendum im ps Format: download : Tables of symmetric VRI points of H2S, H2Se, and H2CO"
    Addendum im PDF Format: download
    2002 38. W.Quapp, V.Melnikov, G.Ch.Mellau:       J.Molec.Spectrosc. 211, (2002) 189-197, citations [20]
    "The Bending Vibrational Ladder of H13C15N by Hot Gas Emission Spectroscopy"
    Abstract of the paper: Abstract
    Artikel im PDF Format: download
    Addendum-READ-ME in ASCI: read
    Addendum in ASCI: read: Line Positions of Assigned Rovibrational Transitions of H13C15N (736 KB)
    Addendum im ps Format: download: Line Positions of Assigned Rovibrational Transitions of H13C15N (634 KB)
    39. Michal Dallos, Hans Lischka, Elizete Ventura do Monte, M.Hirsch, W.Quapp:   Journal of Computational Chemistry, 23, (2002) 576-583, citations [42]
    "Determination of Energy Minima and Saddle Points + using Multireference Configuration Interaction Methods in Combination with Reduced Gradient Following: the S0 Surface of H2CO and the T1 and T2 Surfaces of Acetylene"
    Abstract: read
    Artikel im PDF Format: download

    40. W.Quapp, D.Heidrich:       J.Mol.Struct.(THEOCHEM) 585, (2002) 105-117, citations [32]
    "Exploring the Potential Energy Surface of the Ethyl Cation by New Procedures"
    Abstract: read
    Artikel im PDF Format: download

    41. M.Hirsch, W.Quapp:       Journal of Computational Chemistry 23, (2002) 887-894, citations [53]
    "Improved RGF Method to Find Saddle Points"
    Abstract of the paper: read
    Artikel im PDF Format: download

    42. E.Möllmann, A.G.Maki, M.Winnewisser, B.P.Winnewisser, W.Quapp:       J.Molec.Spectrosc. 212, (2002) 22-31, citations [18]
    "High Temperature Infrared Emission Spectra of D12C14N and D13C14N"
    Abstract of the paper: read
    Artikel im PDF Format: download
    Addendum-READ-ME in ASCI: read
    Addendum in ASCI: read: Line Positions of Assigned Rovibrational Transitions of D13CN (226 KB)
    Addendum in ASCI: read: Line Positions of Assigned Rovibrational Transitions of DCN (459 KB)

    2003 43. W.Quapp:       -- Review in --   J. Theor. Comput. Chem. 2, No 3, (2003) 385-417, citations [82]
    "REDUCED GRADIENT METHODS AND THEIR RELATION TO REACTION PATHS"
    Abstract of the paper: read
    Preprint, PDF Format: download
    Issue of Journal of Theoretical and Computational Chemistry (JTCC) is available online!
    Reprints are available

    44. W.Quapp:       Optimization, 52,No.3 (2003), 317-331, citations [13]
    "A Valley Following Method"
    Abstract of the paper: read
    Artikel im PDF Format: download

    2004 - Annus mirabilis - 45. W.Quapp, M.Hirsch, D.Heidrich:       Theor. Chem. Acc. 112,No.1 (2004) 40-51, citations [73]
    "An Approach to Reaction Path Branching using Valley-Ridge-Inflection Points of Potential Energy Surfaces "
    Abstract of the paper: read
    Artikel im PDF Format: download To link with the Digital Object Identifier (DOI): here

    46. W.Quapp:       J. Molec. Struct. 695-696 (2004) 95-101, citations [86]    
    -- Winnewisser Special Issue -- Edited by Frank C. De Lucia, Per Jensen, Koichi M. T. Yamada and Jaan Laane
    "How Does a Reaction Path Branching Take Place? A Classification of Bifurcation Events"
    Abstract of the paper: read
    Artikel im PDF Format: download To link with the Digital Object Identifier (DOI): here

    47. Ruslan M. Minyaev, Ilya V. Getmanskii, W.Quapp:       Russ. J. Phys. Chem., tom 78, No 8 (2004), 1-6 (in russian),
    english version in vol. 78, No 9 (2004) p. 1494-1498, citations [25]
    "Ab initio Study of the NH_3...H_2 Complex -- First Saddle Point of Index Two on a Reaction Path"
    english Abstract of the paper: read       Jounal web-page: link
    russian Preprint in DOC format: download       (without Figures)
    english Reprint : download
    russian artikel : download

    48. W.Quapp:       Journal Computat Chemistry 25 No.10 (2004) 1277-1285, citations [33]
    "Reaction Pathways and Projection Operators: Application to String Methods"
    Abstract of the paper: read
    Artikel : download

    Populäre Beschreibung in der Neuen Zürcher Zeitung vom 10.Juni 2004, No.132, S.43, von Marc-Denis Weitze
    NZZ Online: link
    ps-file: download
    49. M.Hirsch, W.Quapp:       J.Mol.Struct. THEOCHEM 683 No.1-3 (2004) 1-13, citations [50]
    "Reaction Channels of the Potential Energy Surface: Application of Newton Trajectories"
    Abstract of the paper: read
    Reprint : download

    50. W.Quapp:       J. Math. Chem. 36 No 4 (2004) 365-379, citations [20]
    "Newton Trajectories in the Curvilinear Metric of Internal Coordinates"
    Abstract of the paper: read
    Reprint : download
    See the Journal link: link
    51. M.Hirsch, W.Quapp:       J Math Chem 36 No 4 (2004) 307-340,   citations [45]
    "Reaction Pathways and Convexity of the Potential Energy Surface: Application of Newton Trajectories"
    Abstract of the paper: read
    Reprint in PDF format: download
    See the Journal link: link
    52. M.Hirsch, W.Quapp:       Chem Phys Lett 395 (2004) 150-156, citations [42]
    "The Reaction Pathway of a Potential Energy Surface as Curve with Induced Tangent"
    Abstract of the paper: read
    Artikel : download

    The papers of M.Hirsch in 2004 and 2005 are parts of the Dissertation (Ph.D. thesis) "Zum Reaktionswegcharakter von Newtontrajektorien" (in German) at the Faculty of Chemistry and Mineralogy, University Leipzig, 2004. In PDF format (130 pages, 6 MB): download

    2005 53. M.Hirsch, W.Quapp:       Theoret. Chem. Acc. 113 (2005) 58-62, citations [2]
    "Newton Leaves on Potential Energy Surfaces"
    Abstract of the paper: read
    Preprint in PDF format: download To link with the Digital Object Identifier (DOI), put here

    54.W.Quapp:       Journal Chemical Physics 122, iss 18, (2005) 174106 (11 pages),   citations [75]
    "A growing string method for the reaction pathway defined by a Newton trajectory"
    Abstract of the paper: read
    Preprint : download
    Reprint : download

    2006 55. L.Brüggemann, W.Quapp, R.Wennrich:       Accreditation and Quality Assurance,
    Journal for Quality, Comparability and Reliability in Chemical Measurement 11, issue 12, (2006) 625-631, citations [57]
    "Test for non-linearity concerning linear calibrated chemical measurements"
    Abstract of the paper: read
    Reprint : download

    2007 56. W.Quapp:       Journal Computat Chemistry 28, Issue 11, (2007) 1834-1847, citations [32]
    "Finding the transition state without initial guess: the growing string method for Newton trajectory to isomerisation and enantiomerisation reaction of alanine dipeptide and poly(15)alanine"
    Abstract of the paper: read
    Preprint : download
    published online DOI 10.1002/jcc.20688, go to the Journals page: link

    57. W.Quapp, E.Kraka, D.Cremer:   Journal of Physical Chemistry A, 111, Issue 44 (2007) 11287-11293,   citations [24]
    "Finding the transition state of quasi barrier-less reactions by a growing string method for Newton trajectories: applications to the dissociation of Methylenecyclopropene and Cyclopropane"
    Abstract of the paper: read
    Preprint : download
    published online, go to the Journals page: link

    58. Hyun Joo, E.Kraka, W.Quapp, D.Cremer:   Molecular Physics, 105, Issue 19-22 (2007) 2697-2717,   citations [37]
    "The Mechanism of a Barrierless Reaction: Hidden Transition State and Hidden Intermediates in the Reaction of Methylene with Ethene"
    Abstract of the paper: read
    Preprint : download
    published online, on the Journals page: link

    2008 59. W.Quapp:   Theoret. Chem. Acc. 121, Issue 5-6 (2008) 227-237,   citations [35]
    "Chemical Reaction Paths and Calculus of Variations "
    Abstract of the paper: read
    Preprint : download
    published online on the Journals page: link
    Journals pdf-file: download

    2009 60. W.Quapp:   J.Theoret.Comput.Chem. 8, Issue 1 (2009) 101-117,   citations [22]
    "The growing string method for flows of Newton trajectories by a second order corrector"
    Abstract of the paper: read
    Preprint : download
    See also fortran programs here
    published on the Journals page: link

    2010 61. W.Quapp, A.Zech:   J.Comput.Chem. 31, Issue 3 (2010) 573-585,   citations [22]
    "Transition State Theory with Tsallis Statistics"
    Abstract of the paper: read
    Preprint : download
    published on the Journals page in html format: link
    published on the Journals page in pdf format: link
    Read the background of the paper: Diplomarbeit of A.Zech "Modifikation der Transition State Theory durch die Tsallis-Statistik" (in German): download

    62. W.Quapp, J.M.Bofill:   J.Comput.Chem. 31, Iss 13 (2010) 2526-2531 (Letter to the Editor),   citations [12]
    "A Comment to the Nudged Elastic Band Method"
    Abstract of the paper: read
    Preprint : download
    published on the Journals page in html format: link
    published on the Journals page in pdf format: link
  • Test a FORTRAN program for a 2-dimensional surface: find a gradient extremal!
    Download: 2D-version of TASC
    Download: 2D-version of NEB
  • There is a comment to this comment, J.Comput.Chem. 32, Iss 8, (2011) 1769-1771, published on the Journals page in html format: link

    and here is our replay:

    63. W.Quapp, J.M.Bofill:   J.Comput.Chem. 32, Iss 8, (2011) 1772-1773,   citations [1]
    ''Replay to the Comment by Sheppard and Henkelman on the Nudged Elastic Band Method''
    published on the Journals page in html format: link
    Preprint : download

    2011 64. W.Quapp, B.Schmidt:   Theoret. Chem. Acc. 128, Iss 1 (2011) 47-61,   citations [35]
    "An empirical, variational Method of Approach to unsymmetric Valley-Ridge Inflection Points"
    Abstract of the paper: read
    Preprint : download
    published on the Journals page in html format: link
    published on the Journals page in pdf format: link
    Download: fortran programs here
    Read the background of the paper: Diplomarbeit of Benjamin Schmidt: ''Bestimmung von Tal-Rücken-Umschlagpunkten auf Potentialenergieflächen mittels eines Variationsansatzes für Newtontrajektorien'' (2009) Universität Leipzig, Mathematisches Institut (in German) download

    65. J.M.Bofill, W.Quapp:   J. Chem. Phys. 134 (2011) 074101,   citations [36]
    "Variational Nature, Integration and Properties of Newton Reaction Path"
    Abstract of the paper: read
    Preprint : download
    Reprint : download

    66. W.Quapp, J.M.Bofill, J. Aguilar-Mogas:   Theor. Chem. Acc. 129, Iss 6 (2011) 803-821,   citations [26]
    "Exploration of Cyclopropyl Radical Ring Opening to Allyl Radical by Newton Trajectories:
    Importance of Valley-Ridge Inflection Points to Understand the Topography."
    Abstract of the paper: read
    Reprint : download

    2012 67. B.Wolff, W.Quapp:   Die Wurzel, Zeitschrift für Mathematik 46, No 2 (2012) 45-50
    "Faktorisieren mit Dreieckszahlen"
    Reprint : download
    See the jounal homepage: link

    68. J.M.Bofill, W.Quapp, M.Caballero:   J. Chem. Theory and Computat. 8 (2012) 927-935,   citations [27]
    "The Variational Structure of Gradient Extremals"
    Abstract of the paper: read
    Reprint : download

    69. W.Quapp, J.M.Bofill:   J. Math. Chem. 50, Iss 5 (2012) 2061-2085,   citations [19]
    "Topography of Cyclopropyl Radical Ring Opening to Allyl Radical
    Part II: the CASSCF(3,3) Surface:   Valley-Ridge Inflection Points by Newton Trajectories"
    Abstract of the paper: read
    Reprint : download
    The final publication is available link

    70. W.Quapp, J.M.Bofill, M.Caballero:   Chem. Phys. Lett. 541 (2012) 122-127,   citations [14]
    "Search for Conical Intersection points (CI) by Newton Trajectories"
    (Part III of a series of papers to the PES of the Allyl Radical Ring Closure)
    Abstract of the paper: read
    Reprint : download
    see the jounal homepage: link

    71. J.M.Bofill, W.Quapp, M.Caballero:   J. Chem. Theory Computat. 8 (2012) p. 4856-4862,     citations [5]
    "A Relation Between the Eikonal Equation Associated to a Potential Energy Surface and a Hyperbolic Wave Equation"
    Abstract of the paper: read
    Reprint : download
    see the jounal homepage: link

    72. B.Schmidt, W.Quapp:   Theoret. Chem. Acc. 132 (2012) p.1305-1313,     citations [22]
    "Search of Manifolds of Nonsymmetric Valley-Ridge Inflection Points on the Potential Energy Surface of HCN"
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link

    2013 73. J.M.Bofill, W.Quapp:   J. Math. Chem. 51 (2013) 1099-1115,   citations [25]
    "Analysis of the Valley-Ridge Inflection Points through the Partitioning Technique of the Hessian Eigenvalue Equation"
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link

    74. J.M.Bofill, W.Quapp, Marc Caballero:   Chem.Phys.Lett. 583 (2013) 203-208,   citations [21]
    "Locating Transition States on the PES by a gentlest Ascent Dynamics"
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link

    75. Ruslan M.Minyaev, W.Quapp, Benjamin Schmidt, Ilya V.Getmanskii, Vitaliy V.Koval: Chem. Phys. 425 (2013) 170-176,   citations [12],
    "Unusual reaction paths of SN2 nucleophile substitution reactions CH4+H^- -- > CH4+H^- and CH4+F^- -- > CH3F+H^-: Quantum chemical calculations"
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link

    2014 76. W.Quapp, J.M.Bofill: J. Math. Chem 52 (2014) 654-664,   citations [1],
    "Level sets as progressing waves: an example for wake-free waves in every dimension"
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link

    77. W.Quapp, J.M.Bofill:
    "The Wave Equation for Level Sets is not a HUYGENS' Equation"
    Abstract of the paper: read
    Preprint on arXiv : download

    78. W.Quapp, J.M.Bofill: Theor. Chem. Acc. 133 (2014) 1510 (14pp.),   citations [19],
    "Locating Saddle Points of any Index on Potential Energy Surfaces by the Generalized Gentlest Ascent Dynamics"
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link

    2015 79. J.M.Bofill, W.Quapp, Efrem Bernuz: J. Math. Chem. 53 (2015) 41-57,   citations [10],
    "Some remarks on the extended Gentlest Ascent Dynamics Model"
    Abstract of the paper: read
    Preprint : download
    80. W.Quapp, J.M.Bofill: Int.J.Quant.Chem. 115 (2015) 1635-1649,   citations [14],
    "Embedding of the Saddle Point of Index two on the PES of the Ring Opening of Cyclobutene"
    Abstract of the paper: read
    Preprint : download see the jounal homepage: link
    xx. W.Quapp: submitted 25 June 2015, Rev1 31 August, Rev2 (with appeal) 7 October, but rejected by JCP: 15 December 2015  
    Comment on:''Exploring the potential energy landscape of the Thomson problem via Newton homotopies'' [JCP 142, 194113 (2015)] by Dhagash Mehta, Tianran Chen, John W. R. Morgan, David J. Wales
    Abstract of the paper: read
    First Preprint : download
    Revision R1 Preprint : download
    Revision R2 Preprint : download
    Remark a posteriory: this harmless comment (in three versions for the interested reader) was not accepted by The Journal of Chemical Physics. The reason was a dogget fight of a reviewer against the comment. I guess that he was one of the authors of the commented paper. It was a dirty story, with many false statements; and I did not understand it. Nevertheless, the interested reader should look to another comment to the same paper by:
    J.M.Bofill in J. Chem. Phys. 143, 247101 (2015); http://dx.doi.org/10.1063/1.4939009
    81. W.Quapp: J. Math. Chem 54 No.1 (2015) 137-148,   citations [11],
    "Can We Understand the Branching of Reaction Valleys for more than two Degrees of Freedom?"
    Abstract of the paper: read
    Preprint : download
    http://link.springer.com/article/10.1007/s10910-015-0554-y
    82. W.Quapp: J. Chem. Phys. 143 (2015) 177101,   citations[6]
    Comment on: ''Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au_5'' [J.Chem.Phys.143, 014301 (2015)]
    Abstract of the paper: read
    Preprint : download
    see the jounal homepage: link
    There is a response to the comment: J. Chem. Phys. 143 (2015) 177102, see the jounal homepage: link
    2016 83. J.M.Bofill, W.Quapp: Theoret. Chem. Acc. 135 (2016) 11-24,   citations [12]
    The Variational Nature of the Gentlest Ascent Dynamics and the Relation of a Variational Minimum of a Curve and the Minimum Energy Path
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link
    84. W.Quapp, J.M.Bofill: J. Phys. Chem. B 120 (2016) 2644-2645,   citations [11],
    Comment on ``Reaction Coordinates and Pathways of Mechanochemical Transformations''
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link
    See a replay: link
    85. W.Quapp, J.M.Bofill: Theoret. Chem. Acc. 135, issue 4, (2016) 113-132,   citations [35]
    "A Contribution to a Theory of Mechanochemical Pathways by means of Newton Trajectories"
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link
    86. W.Quapp, J.M.Bofill: J. Computat. Chem. 37, (2016) 2467-2478,   citations [27]
    "Reaction Rates in a Theory of Mechanochemical Pathways"
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link
    2017 87. J.M.Bofill, W.Quapp, "An Application of the Maximum Principle in Chemistry: A Method to Locate Transition States"
    in: "Theoretical and Quantum Chemistry at the Dawn's End of 21st Century", Editors: Ramon Carbó-Dorca and Tanmoy Chakraborty, (2018) Chap.10, p.281-298,   citations [2]
    Abstract of the paper: read
    Preprint of the paper: read
    Hardback Price: $199.95 US, Hard ISBN: 9781771886826, E-Book ISBN: 9781351170963, Pages: Approx 678p w/Index, Binding Type: hardback
    Series: Innovations in Computational Chemistry
    See the homepage of the book: link

    88. W.Quapp, J.M.Bofill, J.Ribas-Arino: J. Phys. Chem. A, 121 (2017) 2820-2838,   citations [27]
    "Analysis of the Acting Forces in a Theory of Catalysis and Mechanochemistry"
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link

    89. J.M.Bofill, J.Ribas-Arino, S.P.Garcia, W.Quapp: J. Chem. Phys. 147, Iss.15 (2017) 152710,   citations [29]
    "An algorithm to Locate Optimal Bond Breaking Points on a Potential Energy Surface for Applications in Mechanochemistry and Catalysis"
    Preprint :: download
    See the jounal homepage: link
    See a press release of the American Institute of Physics: link
    or the pdf file:download
    See a press release of ChemEuropa: link
    or the pdf file:download

    2018 90. W.Quapp, J.M.Bofill: Int. J. Quant. Chem. 118 (2018) e25522 (pp14),     citations [15]
    "Mechanochemistry on the Müller-Brown Surface by Newton Trajectories"
    Preprint :: download
    See the jounal homepage: link


    91. W.Quapp: J. Math. Chem., 56 (2018) 1339-1347,   citations [7]
    "A Minimal 2D Model of the Free Energy Surface for a Unidirectional Natural Molecular Motor"
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link and the paper directly: link


    92. G. Albareda, J. M. Bofill, I. de P.R. Moreira, W.Quapp, J. Rubio-Martinez: Theoret. Chem. Acc. 137 (2018) 73 (10 pp),   citations [4]
    "Exploring Potential Energy Surfaces with Gentlest Ascent Dynamics in Combination with the Shrinking Dimer Method and Newtonian Dynamics"
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link


    93. W.Quapp, J. M. Bofill, J.Ribas-Arino: Int. J. Quant. Chem., 118, 2018, e25775 (19 pp),   citations [19]
    "Towards a Theory of Mechanochemistry -- Simple Models from the Early Beginnings"
    Abstract of the paper: read
    Preprint : download
    See the jounal homepage: link
    2019 94. W.Quapp, J. M. Bofill: Molecular Physics 117, iss.9-12, 2019, 1541-1558,   citations [18]
    "Newton Trajectories for the tilted Frenkel-Kontorova Model"
    Abstract of the paper: read
    Preprint : download
    Supplementary Material : download
    See the jounal homepage: link

    The Mathematica nb for Figures 1, 3, and 12 are here:
    Figure 1 download
    Figure 3 download
    Figure 12 download
    The last nb needs the data file FKmketen.weg for the energies from a FORTRAN program: download


    95. W.Quapp, J. M. Bofill: European Physical Journal B 92, No.5, 2019, 95-117   citations [10]
    "A Model for a Driven Frenkel-Kontorova Chain"
    Abstract of the paper: read
    Preprint with Suppl.Material : download
    See the jounal homepage: link

    The Mathematica nb for Figure 1, left upper panel, is here, together with an optimization step im Mma for the 6D minimum
    Figure 1 download

    96. A. Carreras, L. Fuligni, P. Alemany, M. Llunell, J. M. Bofill, W.Quapp: PCCP 21, 2019, 11395   citation [1]
    "Conformational Analysis of Enantiomerization Coupled to Internal Rotation in Triptycyl-n-helicenes"
    Preprint : download
    Preprint of the Suppl.Material : download

    97. W.Quapp, J. M. Bofill: Euro. Phys. J. B 92, 2019, 193 (21 pp),   citations [12]
    "Sliding Paths for Series of Frenkel-Kontorova Models -- A Contribution to the Concept of 1D-superlubricity"
    Abstract of the paper: read
    Preprint : download
    zipped Supplementary Material : download
    See the jounal homepage: link

    98. J.M. Bofill, J. Ribas-Arino, R. Valero, G. Albareda, I.de P.R. Moreira, W.Quapp: J. Chem. Theory Computat. 15, iss.10, 2019, 5426-5439,   citations [4]
    "Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to locate Transition States"
    Abstract of the paper: read
    Preprint : download
    Supplementary Material : download
    See the jounal homepage: link

    2020 99. J.M. Bofill, W.Quapp: Mol. Phys., 118, iss.12, e1667035 (14 pages), 2020, citations [9]
    "Calculus of Variations as a Basic Tool for Modeling of Reaction Paths and Localization of Stationary Points on Potential Energy Surfaces"
    Abstract of the paper: read
    Preprint : download .
    See the jounal homepage: link
    100. W.Quapp, J.M. Bofill: J. Computat. Theor. Chem. 16, 2020, 811-815, citation [2]
    Comment on "Exploring Potential Energy Surface with External Forces"
    Preprint : download
    See the jounal homepage: link
    101. W.Quapp, J.M. Bofill: J.Computat.Chem. 41, 2020, 629-634,   citations [9]
    "Some Mathematical Reasoning on the Artificial Force Induced Reaction Method"
    Preprint : download
    See the jounal homepage: link
    102. J.M.Bofill, 'Angel S.Sanz, Guillermo Albareda, Ib'erio de P.R.Moreira, W.Quapp: Physical Review Research 2, iss.3, 2020, 033492, (pp.13)   citations [3]
    "Quantum Zermelo problem for general energy resource bounds"
    Preprint : download
    arXiv homepage: link
    See the jounal homepage: link
    103. W.Quapp, J.Y. Lin, J.M. Bofill: Eur. Phys. J. B 93, 2020, 227,   citations [5]
    "The movement of a one-dimensional Wigner solid explained by a modified Frenkel-Kontorova model"
    Preprint : download
    See the jounal homepage: link
    and a ShareIt copy link

    2021 104. J.M. Bofill, R. Valero, J. Ribas-Arino, W.Quapp, Journal of Chemical Theory and Computation, 17, 2021, 996-1007, citations [8]
    "The Barnes Update Applied in the Gauss-Newton Method: an Improved Algorithm to Locate Bond Breaking Points"
    Preprint : download
    Suppl Info PDF format: download
    See the jounal homepage: link

    105. W.Quapp, J.M. Bofill: Eur. Phys. J. B 94, 2021, 66,   citations [5]
    "Description of Shapiro steps on the potential energy surface of a Frenkel-Kontorova model, Part I: The chain in a variable box"
    Preprint : download
    See the jounal homepage: link

    106. W.Quapp, J.M. Bofill: Eur. Phys. J. B 94, 2021, 64,   citations [5]
    "Description of Shapiro steps on the potential energy surface of a Frenkel-Kontorova model, Part II: Free boundaries of the chain"
    Preprint : download
    See the jounal homepage: link

    107. W.Quapp, J.M.Bofill: Eur. Phys. J. B 94, 2021, 105   citations [3]
    "Description of zero field steps on the potential energy surface of a Frenkel-Kontorova model for annular Josephson junction arrays"
    Preprint : download
    See the jounal homepage: link

    2022 108. J.M.Bofill, W.Quapp, Guillem Albareda, Ib'erio de P.R. Moreira, Jordi Ribas-Arino: J. Chem. Theory Computat. 18, (2), 2022, 935-952   citations [9]
    "A model for an Optimally Oriented External Electric Field to Control the Chemical Reaction Path: A Generalisation of the Newton Trajectory"
    doi: : https://doi.org/10.1021/acs.jctc.1c00943
    Preprint : download
    See the jounal homepage: link

    109. W.Quapp, J.M.Bofill: J. Statistical Mechanics: 2022, 013204   citation [4]
    "Comment on ``Out-of-equilibrium Frenkel-Kontorova model'' by A.Imparato, 2021, J.Stat.Mech. 013214"
    Preprint : download
    See the jounal homepage: link
    Link to the arXiv-preprint of the commented paper : download
    (The Reply of Mr. Imparato is not worth reading.)

    110. W.Quapp, J.M.Bofill: Eur. Phys. J. B 95, 2022, 87  
    "A generalized Frenkel-Kontorova model for a propagating Austenite-Martensite phase boundary - revisited numerically"   citation [1]  
    Paper : download
    DOI https://doi.org/10.1140/epjb/s10051-022-00352-7
    See the jounal homepage: link
    Movies to the paper can be studied by the programme ’gwenview’ under Linux. They are made by the Mathematica program.
    – Excitation of the chain left by a push: download
    – Excitation more right by a pull: download
    – Excitation at the centre by a push-pull: download
    – Dynamical Langevin 16 meshes: download
    – Dynamical Langevin 47 meshes: download


    111. W.Quapp, J.M.Bofill: Electronics 11, (20) 2022, 3295,   citation [3]
    "An analysis of some properties and of the use of the twist map for the finite Frenkel-Kontorova model"
    Reprint: download
    see the jounal homepage: link

    and here is the review of a member of the fraction of workers which are commented in the paper: link
    111.a The paper is additionally reproduced in the Special Issue Reprint "Quantum and Optoelectronic Devices, Circuits and Systems"
    It is freely accessible on the MDPI Books platform: link

    112. W.Quapp, J.M.Bofill: arXiv2210.070000 2022,   citation [1]
    "LETTER: On putative incommensurate states of a finite Frenkel-Kontorova chain"
    Preprint: download
    see arXiv homepage: link

    The Letter was in a former version written as a Comment for Phys.Rev.A. It was not accepted by the Journal using a biased review.

    2023 113. J.M.Bofill, W. Quapp, Guillem Albareda, Ib'erio de P.R. Moreira, Jordi Ribas-Arino, Marco Severi: Theoret. Chem. Acc. 142, 2023, 22   citation [5]  
    ''A Catastrophe Theory Based Model for Optimal Control of Chemical Reactions by Means of Oriented Electric Fields''
    Preprint: download
    see the jounal homepage: link

    114. W. Quapp, J.M. Bofill: J. Phys. Chem. C, 127, 17, (2023)  
    ''Comment on "Anisotropy of Shear-Induced Mechanochemical Reaction Rates of Surface Adsorbates; Implications for Theoretical Models``, by R.Rana, G.D.Kenmoe, F.Sidoroff, R.Bavisotto, N.Hopper, and W.T.Tyso, in The Journal of Physical Chemistry C, 2022, 126, 11585-11593"
    Preprint: download
    see the jounal homepage: link

    115. W. Quapp, J.M. Bofill: Leibniz Online, No.49 (2023) 1-19
    "Das Frenkel-Kontorova Modell -- Eine unendliche Geschichte --"
    Heft: link       Paper: link
    Preprint: download

    115. b) W. Quapp, J.M. Bofill: english translation of this paper
    "The Frenkel-Kontorova Model -- A never ending Tale --
    Preprint: download

    116. W.Quapp: Canadian J. Chem. 101 No.8, 5 June (2023)
    "A Note on the Use of Rhombus Silicate Networks and Rhombus Oxide Networks"
    Preprint: download
    see the jounal homepage: link
    and: link

    or see e-First at https://doi.org/10.1139/cjc-2022-0300
    By the way, this tiny comment did need more than a half year from submission to publication. Thus, I cannot recommend this Journal, at least not for Comments. They did all to delay the publication.

    117. J.M. Bofill, Marco Severi, Wolfgang Quapp, Jordi Ribas-Arino, Iberio de P. R. Moreira, Guillermo Albareda: J. Chem. Phys. 149, iss. 11 (2023) 114112   citation [3]  
    Optimal Control Catastrophe Model for Annihilating Chemical Barriers in Polarizable Molecules using Oriented External Electrostatic Fields
    Preprint: download

    118. Marco Severi, Josep Maria Bofill, Wolfgang Quapp, Jordi Ribas-Arino, Guillermo Albareda, Iberio de P. R. Moreira, Sept. 7 (2023) 1-29   citation [2]
    Program: MANULS - Make chemicAl reactioNs spontaneoUs via optimaL fieldS,   Documentation and User Guide
    Repository at https://github.com/MSeveri96/MANULS

    xx. Wolfgang Quapp, J.M.Bofill: Bei Phys. Rev. Research abgelehnt (2023):
    Comment: Catch-slip bonding, Pathway switching, and Singularities [Phys. Rev. Research 5, 023161 (2023)], paper by Barkan und Bruinsma.
    Preprint: download
    --- Der Comment wurde abgelehnt. Zuerst verzögerte der Editor die Begutachtung durch einen faulen Trick um ein Vierteljahr. Dann 'durften' die kritisierten Autoren begutachten; sie waren der Meinung, alles richtig gemacht zu haben. Der arrogante Editor lehnte daraufhin den Comment zum ersten mal ab. Der Einspruch, dass die kritisierten Autoren eventuell voreingenommen sein könnten, führte zu zwei regulären Reviews, von denen eines wieder klar dem kritisierten Paper den Vorrang gab. Daraufhin gab es die zweite Ablehnung. Nun starteten wir einen offiziellen Widerspruch bei PRR, der aber dann endgültig abgelehnt wurde (3.Ablehnung!).
    In Summe: 1 Editor, 3 Gutachter und 2 kritisierte Autoren, wahrscheinlich alle 6 Physiker, ignorieren schwere mathematische Fehler in einer Arbeit.
    By the way, das ist ein zweiter Kommentar von uns, der bei PR schnöde, mit einer sehr skurrilen Begründung, abgelehnt wurde.
    Wo ist die wissenschaftliche Ethik hinverschwunden? PR hat mal damit geworben, das hier A.Einstein veröffentlicht hat.
    Den vergleichsweise kurzen Kommentar haben wir daraufhin erweitert zu einem vollen (und am Ende ziemlich langen) Paper zu Catch Bonds. Vergleiche Punkte xxx, 120 und 121. hiernach.

    xxx. Wolfgang Quapp, J.M.Bofill: Foundations (2023) zurückgezogen /withdrawn
    Altering Selectivity in the Tug-of-War Mechanism by Mechanochemistry - with an Explanation of Catch Bond Behavior
    --- Die Arbeit wurde bei 'Foundations' von MDPI eingereicht. Dort sind offenbar 4 Reviews notwendig. Drei waren (in angemessener Zeit) positiv, aber der 4.Reviewer (sehr wahrscheinlich ein B von [B und B]) war extrem bösartig, und er suchte den Editionsprozess extrem zu verzögern. Wir hofften, dass die Editoren dies selbst erkennen würden. Das war aber nicht der Fall. Wir zogen darauf hin die Arbeit zurück, vor einer zu erwartenden Ablehnung in ferner Zukunft. (Vergleiche unten, No.120, wo das Paper dann noch verbessert erscheinen konnte, und auch No.121.)

    2024 119. Josep Maria Bofill, Marco Severi, Wolfgang Quapp, Jordi Ribas-Arino, Iberio de P. R. Moreira, Guillermo Albareda: Chemistry - A European Journal, accepted , No xx (2024) yy-yy
    "Optimal oriented external electric fields to trigger a barrierless oxaphosphetane ring opening step of the Wittig reaction"
    Preprint: download

    120. Wolfgang Quapp, J.M.Bofill: J. Phys. Chem. B accepted , No xx (2024) yy-yy
    "Theory and examples of catch bonds"
    Preprint: download


              quapp ... math.uni-leipzig.de     (E-Mail)

    Statistics:
    WQ's papers were cited approximately times, per 15.03.2024

    The 5 most cited papers which have more than 100 citations:
    Quapp and Heidrich: Theoret.Chim.Acta 66 (1984) 245-260  
    Quapp: Theoret.Chim.Acta 75 (1989) 447-460  
    Quapp, Hirsch, Imig and Heidrich: J.Comput.Chem. 19 (1998) 1087-1100  
    Quapp, Hirsch, Heidrich: Theor.Chem.Acc. 100 (1998) 285-299  
    Maki, Mellau, Klee, Winnewisser, Quapp: J.Molec.Spectrosc. 202 (2000) 67-82  


    Und das Buch: D.Heidrich, W.Kliesch, W.Quapp
    "Properties of Chemical Interesting Potential Energy Surfaces" (1991)  

    The h-index of WQ is 33    
    (it means 33 works have recieved at least 33 citations).
    The h-index theory delivers 0.54*Sqrt[Citates]=
    ( Under a stable body-mass index of 22.99 )


    IMPORTANT: The manuscripts available on our site are provided for your personal use only and may not be retransmitted or redistributed without written permissions from the paper's publisher and author. You may not upload any of this site's material to any public server, on-line service, network, or bulletin board without prior written permission from the publisher and author. You may not make copies for any commercial purpose.

    Preprints(P)/Berichte(B)

    1. W.Quapp: 1980(P) "Numerische Spektrenentfaltung"
    2. W.Quapp: 1981/1983(B) "REDUCE-Programme für Berechnungen von Koeffizienten in der Spektralen Geometrie von Tensorfeldern und Differentialformen."
    3. V.Barche, W.Quapp: Mai 1982(B) "Optimierung der Rohkohleverteilung der Tagebaue des BKK Borna"
    4. V.Barche, W.Quapp: (1983) "Abschlussbericht Programmpaket OPTIVE (Borna)"
    5. V.Barche, W.Quapp: 1984(B): "Nutzung eines Optimierungsmodells für Baureparaturzyklen" (Für Bauakademie)
    6. W.Quapp: 1986(P) "Möglichkeit der selektiven Anregung chemischer Reaktionen mit IR-Lasern bei H2S"
    (Für Chemieanlagenbau Leipzig/Grimma, CLG)
    7. W.Quapp: 1986(P) "Das Mountain-Pass-Theorem und seine Anwendung zum numerischen Bestimmen von Sattelpunkten"
    8. W.Quapp, A.Neustadt: 1986(B) "Metriktensoren bei Verwendung krummliniger Koordinaten für Molekülberechnungen"
    9. K.Voigt, W.Quapp: 1986(B) Programmpaket EUKLID zur Umrechnung innerer Molekülkoordinaten in kartesische Koordinaten"
    10. H.Dachsel, W.Quapp, D.Sosna: (1992) Programmpaket AniVib zur realistischen Visualisation von molekularen Vibrationen.


    Tagungsberichte / Contributions to Conferences

    1981 1. S.Ferner, W.Quapp, R.Salzer: Mitteilungsblatt Chem.Ges.DDR,Beiheft 45, 1981, S.51 "Die Voigtfunktion als Variante der Cauchy-Gauss Mischfunktion für Profile für IR-Absorptionsbanden"
    2. W.Quapp, B.Illek, W.Kliesch, D.Heidrich: 11. Arbeitstagung Probleme der Quantenchemie Heiligendamm, 1983: "Warum ist Riemann-Geometrie zur Behandlung von Problemen des Minimum-Energie-Weges erforderlich?"
    3. W.Quapp, D.Heidrich: Tagungsband 12.Arbeitstagung Probleme der Quantenchemie Heiligendamm, 1984, S.51 "Welche Bedeutung haben Sattelpunkte 2.Ordnung auf Potentialhyperflächen in theoretischen Reaktivitätsuntersuchungen?"
    4. D.Heidrich, W.Quapp, B.Illek: ebenda, S.52 "Was ist der Minimum Energy Path?"
    1985 5. W.Quapp, D.Heidrich: Tagungsband Microsymp. Elementary Processes, CSSR, Liblice, Sept. 1985, S.27 "Vibrations, IVR and chemical reactions"
    6. W.Quapp : Tagungsband 8.T.chem.Reaktionskinetik, Eisenach, Nov.1986, S.24, "Reaktionswege auf PEF unimolekularer chem. Umwandlungen und Möglichkeiten ihrer IR-Stimulierung"
    7. W.Quapp, D.Heidrich: Tagungsheft HJT Chem.Ges.DDR, August 1987, S.11 "Ein Modell für die innere Schwingungsenergie-Umverteilung: Eine Deutung der IR-Anomalie des HCN"
    8. W.Quapp: Tagungsband 14.T. Probl. QC, Külungsborn, März 1987,S.130-1 "Wie beginnen Reaktionswege auf PEF unimolekularer chem. Umwandlungen?"
    9. W.Quapp: Tagungsband 2nd Int.Symp. Elem.Proc., CSSR, Liblice, Sept. 1987, S.16 "Ascent and descent on the PES of HCN: An example of IVR and its relation to reaction paths"
    10. W.Quapp: Tagungsband 9.T.Chem.Reaktionskinetik, Leipzig März 1989, S.19 "Behaviour of molecular vibrations in an anharmonic PES and the IVR of HCN"
    11. W.Quapp: Tagungsband 9.T.Chem.Reaktionskinetik, Leipzig März 1989, S.71 "Gradient extremals and valley floor bifurcations on PES"
    12. W.Quapp: Tagungsband EUCMOS XIX, Dresden  1989,S.69-70 "IVR of HCN"
    1990 13. H.Dachsel, W.Quapp: Proc.XIth Int.Conf.on High Resolution Infrared Spectroscopy, CSFR, Dobris, Sept.3-7, 1990, S.64
    "An analytical computation of Christoffel symbols for reaction coordinate and trajectory treatments under internal coordinates"
    14. W.Quapp, S.Albert, B.P.Winnewisser, M.Winnewisser: Twelfth Coll. on High Resolution Molecular Spectroscopy, Frankreich, Dijon, Sept.9-13th, 1991, S.B24 "The   v_1, v_2, v_3 and   v_2 + v_3 Band System of HC^15NO"
    15. B.P.Winnewisser, M.Winnewisser, K.Sarka, G.Wagner, S.Albert, W.Quapp: 47th Ohio State University International Symposium on Molecular Spectroscopy, USA, Ohio, June 15-19, 1992. "Tune your resonance and find a new one: Effects of isotopic substitution and vibrational excitation in HCNO"
    16. B.P.Winnewisser, M.Winnewisser, S.Albert, W.Quapp, G.Wagner: 47th Ohio State University International Symposium on Molecular Spectroscopy, USA, Ohio, June 15-19, 1992. "The infrared spectrum of fulminic acid (HCNO)"
    17. W.Quapp, B.P.Winnewisser: 12.Int.Conf.High Resolution Infrared and Microwave Spectroscopy, Dob'ris, CSFR, Sept. 7-11, 1992, "What you thought you already knew about the bending motion of triatomic molecules"
    18. A.G.Maki, S.Klee, G.Mellau, W.Quapp: 48th Ohio State University International Symposium on Molecular Spectroscopy, USA, Ohio, June, 1993. [1]
    "Relative intensity measurements and the Herman-Wallis effect for HCN in the 2100cm^-1 region"
    19. A.G.Maki, S.Klee, G.Mellau, W.Quapp: 13.Coll.on High Resolution Molecular Spectroscopy, Riccione, Italien, 13.-17.9.1993. "Relative intensity measurements and the Herman-Wallis effect for HCN in the 1920 to 2750cm^-1 region"
    20. W.Quapp, O.Imig, D.Heidrich: 29. Symposium für Theoretische Chemie, 27.9.-1.10.1993 Oberwiesenthal/Erzgebirge, "Numerische Bestimmung von Gradient-Extremwegen" - Kurzvortrag
    21. W.Quapp, O.Imig, D.Heidrich: Symposium No: 29 , The Royal Society of Chemistry, FARADAY DIVISION, Hertford College, Oxford, 15.-17.12.1993 "The numerical calculation of gradient extremal paths on potential energy surfaces"
    22. W.Quapp: Symposium No: 29 , The Royal Society of Chemistry, FARADAY DIVISION, Hertford College, Oxford, 15.-17.12.1993 "Bifurcation of gradient extremal paths on potential energy surfaces"
    23. W.Quapp, A.G.Maki: Molecular Spectroscopy and Molecular Dynamics: Theory and Experiment, Int.Bunsen Discussion Meeting, Grainau, 28.8.-1.9.1994. "Relative intensity and large Herman-Wallis effect for  v_3 of HCN, the CN stretching mode at 2096cm^-1"
    24. W.Quapp, S.Klee, G.Mellau, S.Albert, A.Maki: 13.Int.Conf.High Resolution Molecular Spectroscopy, Poznan, Polen, Sept.5-9,1994, "Fourier transform spectra of overtone bands of HCN from 4800 to 9600cm-1 - Some new transitions of bending combination modes"
    25. W.Quapp, O.Imig, D.Heidrich: 30.Symposium für Theoretische Chemie, Fiesch, Schweiz, 11.-15.09.1994, "Numerische Bestimmung komplizierter Reaktionsweg-Verläufe mittels Gradient-Extremalwegen"
    1995 26. A.Maki, W.Quapp, S.Klee, G.Mellau, S.Albert: 50th Ohio State University International Symposium on Molecular Spectroscopy, USA, Ohio, June12-16, 1995, MG10. "New infrared intensity measurements for the isotopomers of HCN: Hotband transitions accompanying the very weak C-N stretching fundamental and =2 f-e transition"
    27. A.Maki, W.Quapp, S.Klee, G.Mellau, S.Albert: 14th Coll.on High Resolution Molecular Spectroscopy, Frankreich, Dijon, Sept.11-15th, 1995, N.37 "The CN mode of HCN: A comparative study of the variation of the transition dipole and the Herman-Wallis constants for seven isotopomers and the influence of vibration-rotation interaction"
    28. A.Maki, W.Quapp, S.Klee, G.Mellau: 14th Coll.on High Resolution Molecular Spectroscopy, Frankreich, Dijon, Sept.11-15th, 1995, K.33 "The first observation of field free  _l=2,   f-e transitions in HCN"
    29. W.Quapp, O.Imig, D.Heidrich: 31.Symposium für Theoretische Chemie, Loccum, 10.-13.10.1995, B 35 "Bestimmung von Reaktionswegen und Sattelpunkten über numerische Verfolgung von Gradientextrem Talwegen"
    30. W.Quapp, II.Coll. über Hochauflösende Moleküspectroskopie, Grossbothen, 22.-25.Mai 1996, "CN mode von HCN: Vergleichende Analyse von sieben Isotopomeren"
    31. W.Quapp, A.Maki, S.Klee, G.Mellau: 15th Coll.on High Resolution Molecular Spectroscopy, Tschechien, Prag, Sept.9-13th, 1996, "The forbidden _l =2   f-e transitions in HCN"
    32. W.Quapp, A.Maki, S.Klee, G.Mellau: 15th Coll.on High Resolution Molecular Spectroscopy, Prag, Sept.9-13th, 1996, "The IR observation of NCCN"
    33. W.Quapp, O.Imig, D.Heidrich: 32.Symposium für Theoretische Chemie, Seggau , 23.-26.9.1996, B 27
    "Bestimmung von Reaktionswegen und Sattelpunkten über numerische Verfolgung von Gradientextrem Talwegen"
    34. W.Quapp: 32.Symposium für Theoretische Chemie, Seggau, 23.-26.9.1996, B 45 "Neue Entwicklungen bei der Berechnung von Reaktionswegen auf Potentialflächen"
    35. G.Mellau, M.Winnewisser, S.Klee, W.Quapp, M.Hirsch, A.Maki: 16th Coll.on High Resolution Molecular Spectroscopy, Glasgow, Sept.6-11th, 1997,
    "An emission measurement of bending hot bands of D^13C^15N"
    36. W.Quapp, M. Hirsch, O.Imig, D.Heidrich: 16th Coll.on High Resolution Molecular Spectroscopy, Prag, Aug.30th-Sept.3th, 1998,
    "Searching for Saddle Points of Potential Energy Surfaces by Following a Reduced Gradient"
    37. M.Winnewisser, B.P.Winnewisser, E.Möllman, W.Quapp: 16th Coll.on High Resolution Molecular Spectroscopy, Prag, Aug.30th-Sept.3th, 1998, J29,
    "High Resolution Fourier Transform Infrared Emission Spectroscopy of D^13C^14N"
    38. W.Quapp, M. Hirsch, O.Imig, D.Heidrich: 33.Symposium für Theoretische Chemie, Gwatt, 20.-24.9.1998, P 114
    "Searching for Saddle Points of Potential Energy Surfaces by Following a Reduced Gradient"
    39. W.Quapp: Arbeitstagung für Theoretische Chemie, Mariapfarr, 15.-19.2.1999,
    "Reaction Path Bifurcation: Valley-Ridge-Inflection Points do not generally form isolated points on a PES"
    40. W.Quapp: Festkolloquium in honour of Brenda and Manfred Winnewisser, Giessen, 3.9.1999
    "The Set of Valley-Ridge-Inflection Points of the Potential Energy Surface of Water: The Fourfold Cluster Problem"
    41. W.Quapp, M. Hirsch, D.Heidrich: 16th Coll.on High Resolution Molecular Spectroscopy, Frankreich, Dijon, Sept.6-10th, 1999,
    "The Set of Valley-Ridge-Inflection Points of the Potential Energy Surface of Water"
    2000 42. W.Quapp, M. Hirsch, D.Heidrich: Arbeitstagung für Theoretische Chemie, Mariapfarr, Febr.14-18th, 2000,
    "Following the Streambed Reaction on Potential Energy Surfaces: A New Robust Method"
    43. W.Quapp, M. Hirsch, D.Heidrich: Bunsentagung, Würzburg, 1.-3.Juni 2000,
    "Following the Streambed Reaction on Potential Energy Surfaces: A New Robust Method"
    44. W.Quapp, M. Hirsch, D.Heidrich: The 16th Int. Coll. on High Resolution Molecular Spectroscopy, Prag, Sept.3th-7th, 2000, J4
    "Calculation of the Large Amplitude Pathway on the Potential Energy Surface"
    45. Arthur Maki, Georg Ch.Mellau, Stefan Klee, Manfred Winnewisser, W.Quapp: The 16th Int. Coll. on High Resolution Molecular Spectroscopy, Prag,
    Sept.3th-7th, 2000, J27 "High temperature measurements in the region of the bending fundamental of H12C14N, H12C15N, and H13C14N"
    46. W.Quapp, M. Hirsch, D.Heidrich: STC2000 - 36. Symposium für Theoretische Chemie Quantenmechanik und Quanteneffekte in Systemen Zunehmender Komplexität, 10.-14. 9. 2000, LITSCHAU, NIEDERÖSTERREICH
    "Following the Streambed Reaction on the Potential Energy Surface: A New Robust Method"
    47. W.Quapp: Collatz2000 - Internationales Kolloquium über Anwendungen der Mathematik, Hamburg, 29.-30. 9. 2000
    "Searching Stationary Points of an N-dimensional Surface by a Valley Following Method"
    48. W.Quapp: Energy Landscapes Workshop - Chemnitz, 24.-25. November 2000
    "Potential energy surface analysis: mathematical foundations and algorithms for small molecules"
    (Eingeladener Vortrag)
    49. W.Quapp: 100. Bunsentagung Stuttgart 24.-26. Mai 2001
    "The Set of Valley-Ridge-Inflection Points of the Potential Energy Surface of H2CO"
    50. W.Quapp: The Tenth International Colloquium on Numerical Analysis and Computer Science with Applications, Plovdiv, Bulgaria, 12.-17.August 2001
    "Searching Stationary Points of an N-dimensional Surface by a Valley Following Method" (Invited Lecture)
    51. W.Quapp, V.Melnikov, G.Ch.Mellau: The 17th Int. Coll. on High Resolution Molec Spectrosc, Nijmegen, Sept.8th-13th, 2001, J4
    "The Bending Vibrational Ladder of H13C15N by Hot Gas Emission Spectroscopy"
    52. W.Quapp, V.Melnikov: The 17th Int. Coll. on High Resolution Molec Spectrosc Nijmegen, Sept.8th-13th, 2001, L20
    "The Set of Valley-Ridge-Inflection Points of the Potential Energy Surface of H2CO"
    53. Michal Dallos, Hans Lischka, M.Hirsch, W.Quapp: 37th SYMPOSIUM FOR THEORETICAL CHEMISTRY Electronically Excited Molecules: Structure and Dynamics September 23 - 27, 2001 Bad Herrenalb (BW) - Germany, P22
    Determination of Energy Minima and Saddle Points on the S0 Surface of H2CO and the T1 Surface of Acetylene using Multireference Configuration Interaction Methods in Combination with Reduced Gradient Following
    54. W.Quapp, V.Melnikov: 37th SYMPOSIUM FOR THEORETICAL CHEMISTRY Electronically Excited Molecules: Structure and Dynamics September 23 - 27, 2001 Bad Herrenalb (BW) - Germany, P120
    "The Set of Valley-Ridge-Inflection Points of the Potential Energy Surface of H2CO"
    55. W.Quapp: 102. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie, 29. bis 31. Mai 2003, Kiel, P118
    "An Approach to Reaction Path Branching using Valley-Ridge-Inflection Points of Potential Energy Surfaces"
    Poster : download
    56. W.Quapp: 18. Colloquium on High Resolution Molecular Spectroscopy, Dijon 8-12 Sept.2003, L12
    "An Approach to Reaction Path Branching using Valley-Ridge-Inflection Points of Potential Energy Surfaces"
    57. Ruslan M. Minyaev, Ilya V. Getmanskii, W.Quapp:
    18. Colloquium on High Resolution Molecular Spectroscopy, Dijon 8-12 Sept.2003, L11
    "Ab initio Study of the NH_3...H_2 Complex -- First Saddle Point of Index Two on a Reaction Path"
    Poster : download
    2005 58.W.Quapp:   Symposium on Theoretical Chemistry, Innsbruck, September 2005, P101
    "A growing string method for the reaction pathway defined by a Newton trajectory"
    Poster : download
    59. M.Hirsch, W.Quapp:   Symposium on Theoretical Chemistry, Innsbruck, September 2005, P102
    "Reaction Channels of the Potential Energy Surface: Application of Newton Trajectories"
    Poster : download
    60. M.Hirsch, W.Quapp:     Symposium on Theoretical Chemistry, Innsbruck, September 2005, P103
    "Reaction Pathways and Convexity of the Potential Energy Surface: Application of Newton Trajectories"
    Poster : download
    2009 61. W.Quapp:     Theoretical Chemistry: Modelling Reactifity from Gas Phase to Biomolecules and Solids, Barcelona, 29th June-3th July 2009, PL Talk 17
    "The Use of Newton Trajectories in Theoretical Chemistry"
    Talk slides : download
    2012 62. J.M.Bofill, W.Quapp, M.Caballero:     244th ACS National Meeting, Philadelphia, August 19-23, 2012
    "Bases and Features of the PES and Reaction Path Models, their Extensions, and Beyond.
    Talk slides : download
    2014 63. J.M.Bofill, W.Quapp:     50th Symposium on Theoretical Chemistry, STC 2014, Wien, September 2014, P35
    "Locating Saddle Points of any Index by the Generalized Gentlest Ascent Dynamics"
    Poster (small in DinA4): download
    64. J.M.Bofill, W.Quapp:     2nd EUMETRISPEC Workshop, Braunschweig, Oktober 2014, P22
    "Locating Saddle Points of any Index by the Generalized Gentlest Ascent Dynamics"
    Abstract : download
    2015 65. Josep Maria Bofill, Wolfgang Quapp, Ib'erio de P.R. Moreira:     ICIQ-FIFC Spain-Japan Joint Symposium on Theoretical and Computational Chemistry for Complex Systems, November 25-27, 2015, Tarragona, Spain
    "Exploring Potential Energy Surfaces of Complex Molecular Systems using Zermelo’s Navigation Variational Model"
    Poster DinA4 : download
    2016 66. Wolfgang Quapp, Josep Maria Bofill:     Bridging-Time Scale Techniques and their Applications in Atomistic Computational Science, September 12-15, 2016, Dresden, Germany
    "The Use of Newton Trajectories in MechanoChemistry and Catalysis"
    Talk : download
    See the conference homepage: link

    67. Josep Maria Bofill, Wolfgang Quapp:     Bridging-Time Scale Techniques and their Applications in Atomistic Computational Science, September 12-15, 2016, Dresden, Germany
    "The Variatonal Nature of some Reacton Path Models"
    Talk : download
    See the conference homepage: link

    2017 68. Wolfgang Quapp, Josep Maria Bofill, Jordi Ribas-Arino:     11. WATOC, August 27 - September 1, 2017, Munich, Germany
    Contributed Talk C4
    "Patterns of Moving Saddle Points in Catalysis and Mechanochemistry"
    Talk : download
    Abstract : download
    See the conference homepage: link

    69. Josep Maria Bofill, Jordi Ribas-Arino, Sergio Pablo Garcia, Wolfgang Quapp:     11. WATOC, August 27 - September 1, 2017, Munich, Germany
    Poster 1-218
    "AN ALGORITHM TO LOCATE OPTIMAL BOND BREAKING POINTS ON POTENTIAL ENERGY SURFACES FOR MECHANOCHEMICAL REACTIONS"
    Poster : download
    Abstract : download
    See the conference homepage: link

    2018 70. J.M. Bofill, G. Albareda, I. de P.R. Moreira, W.Quapp:    
    Poster on the
    11th Congress on Electronic Structure, Principles and Applications (ESPA-2018 ) Toledo, Spain, 17-19 July 2018
    "Gentlest Ascent Dynamics combined with the Shrinking Dimer Method and Newtonian Dynamics: an efficient way to explore Potential Energy Surface"
    PUBLICATION: Book of Abstract of the Congress: P064, pg. 13
    Poster : download
    71. J. Ribas-Arino, W.Quapp, J.M. Bofill:    
    Poster on the
    11th Congress on Electronic Structure, Principles and Applications (ESPA-2018 ) Toledo, Spain, 17-19 July 2018
    "Location of Optimal Bond Breaking Points on Potential Energy Surfaces"
    PUBLICATION: Book of Abstract of the Congress: P080, pg. 13
    Poster : download
    72. W.Quapp, J. Ribas-Arino, J.M. Bofill:    
    Contributed Talk C17 on the
    54th Symposium on Theoretical Chemistry, Halle (Saale) 17.-20.9.2018
    PUBLICATION: Book of Abstracts of the Congress: C17, p.85
    Talk : download
    Abstract : download
    See the conference homepage: link

    2019 73. W.Quapp, J.M. Bofill:    
    Poster P-191 on the 9th Molecular Quantum Mechanics, Heidelberg July 2019
    "The Frenkel-Kontorova Chain"
    Book of Abstracts of the Congress P-191
    Poster : download
    Abstract: download
    See the conference homepage: link

    74. J.M. Bofill, J. Ribas-Arino, R. Valero, G. Albareda, I. de P.R. Moreira, W.Quapp:    
    Poster P-027 on the 9th Molecular Quantum Mechanics, Heidelberg July 2019
    "The Gentlest Ascent Dynamics Method with Conjugated Directions: A new and efficient Algorithm to locate Transition States"
    PUBLICATION: Book of Abstract of the Congress: P-027.
    Poster : download
    2022 75. J.M. Bofill, W.Quapp, G. Albareda, I. de P.R. Moreira, J. Ribas-Arino:    
    Talk OC7 on the 12th Congress on Electronic Structure Principles and Application, Vigo, Jun3 2022
    "Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method"
    PUBLICATION: Book of Abstract of the Congress: p.37.
    See: download
    2023 76. W.Quapp, R.Schimming, J.M. Bofill:    
    Vortrag
    "Das Frenkel-Kontorova Modell -- Eine unendliche Geschichte --"
    Klassensitzung der Leibniz Societät zu Berlin am 9.2.2023
    See: download
    Preprint for an online-version: download
    English translation of this paper
    "The Frenkel-Kontorova Model -- A never ending Tale --
    Preprint: download


    Promotion von W.Quapp
    "Zum singulären Anfangswertproblem der EULER-POISSON-DARBOUX-Gleichung: Vollstetigkeit von Lösungsoperatoren und andere Eigenschaften"     Leipzig, 1982.

    Auswahl populärwissenschaftlicher Beiträge und Rezensionen / Non-Technical Writings

    1. W.Quapp, V.Barche: Leipz.Volkszeitung 31.12.1983
    "Mit 'Fahrplan' in der Kohle fündig geworden"

    2. W.Quapp: LVZ 6.Juni 1987 "Den Mechanismen chemischer Reaktionen auf der Spur -
    Chemie-Nobelpreis für die Aufklärung elementarer Vorgänge im Molekül"
    Artikel im PDF Format: download

    3. W.Quapp: Die Naturwissenschaften 77(1990)92,
    "Rezension zu 'Mathematical Frontiers in Computational Chemical Physics' "
    Rezension im PDF Format: download

    4. W.Quapp: Nachrichten Chem. Tech. Lab. 46 No11 (1998) 1100,
    "Kann man wissenschaftliche Leistung messen" (Leserbrief)
    See the Journals page: link

    5. W.Quapp: Wissenschaftlicher Literatur Anzeiger 38 Heft2 (1999) 65-66
    Rezension zu "Advanced Molecular Dynamics and Chemical Kinetics"
    ansehen: Rezension

    6. W.Quapp: Zeitschr. Analysis Anwend. 19 Heft2 (2000) 597
    Rezension zu "Fractals for the Classroom: Strategic Activities, Volume Three" (von Peitgen, Jürgens, Saupe, Maletzky und Terry)
    ansehen: Rezension

    7. W.Quapp: Wissenschaftlicher Literatur Anzeiger 40 Heft2 (2001) 75
    Rezension zu "Kurt Gödel: Leben und Werk" (John W. Dawson jr.)
    ansehen: Rezension

    8. Marc-Denis Weitze: Populäre Beschreibung von Artikel 48 (oben) in der Neuen Zürcher Zeitung vom 10.Juni 2004, No.132, S.43
    NZZ Online: link
    ansehen ps-file: download

    9. W. König: Populäre Beschreibung von Newtontrajektorien im Journal der Universität Leipzig Heft 3 (2008), S.10 - in deutsch -
    ansehen ps-file: download

    10. W.Quapp: Enttäuschendes Ergebnis einer Schrittmacherbehandlung, in: Herz Heute 4/2017, S.38-40 (Herausgeber Deutsche Herzstiftung) -in deutsch-
    Beitrag: download
    Schwindel und Ohnmachten waren die Folge eines Herzschrittmachers, der nicht richtig eingestellt war. Die Lösung lag im Rüttel-Sensor. Kommentar von Prof.Dr.med. Andreas Schuchert, Friedrich-Ebert-Krankenhaus Neumünster
    Schlagwörter: Herzschrittmacher, Betriebsweise DDD-R, Rüttelsensor (wahre Funktion), Frequenzanpassung (Euphemismus)
    Nachspiel:
    Die falsche Einstellung des Herzschrittmachers habe ich als Kunstfehler eingeklagt. Es zog sich sehr lange hin: Die Gegenseite behauptete alles richtig gemacht zu haben, unterstellte mir sogar eine nicht vorhandene Erkrankung, und ein sogenannter Gutachter bestätigte es. Die Gerichte glauben dem Gutachter.
    Hier meine Zusammenstellung vom Mai 2020.
    Für alle Sportler mit Herzschrittmacher: download

    11. W.Quapps Sportliche Karriere, in: Leipziger Laufoldies 2 - Erfahrungen beim Altern und Ursachen des Leistungsknicks
    Dietmar Knies, Georg Neumann (Eds.), Leipzig, 2021, S.58-59
    Preprint pdf-file: download


    Gutachter - Tätigkeit -- Refereeing duties

    WQ was invited for doing referee reports for the journals:

    Accounts of Chemical Research
    ACS Omega
    Acta Bio-Materialia
    Advances in Applied Clifford Algebras
    Algorithms
    Applied Chemistry
    Applied Sciences
    Arabian Journal of Chemistry
    Axioms
    Chaos
    ChemComm
    Chemical Physics
    Chemical Physics Letters
    Communications in Nonlinear Science and Numerical Simulation
    Computation
    Computers and Mathematics with Applications
    Crystals
    Electronics
    Energies
    Entropy ( ≥ 5 )
    Foundations of Physics
    Fractal Fract
    Games
    IEEE Access
    IEEE Control Systems Society Conference
    IEEE Transactions on Industrial Electronics
    Int. Conf. Phys., Math., Statistics
    Int. Conf. Opt. Comm. Opt. Inf. Proc. (OCOIP 2023)
    International Journal of Biological Macromolecules
    International Journal of Modern Physics B
    International Journal of Quantum Chemistry
    International Journal of Theoretical Chemistry
    Inventions
    Journal of the American Chemical Society
    Journal of Applied Physics
    Journal of Chemical Physics, ( ≥ 10 ),     (see an announcement of the Journal concerning the top-reviewers in 2015:   download )
    Journal of Chemical Theory and Computation
    Journal of Cluster Science
    Journal of Computational Chemistry (≥ 10 )
    Journal of Computational Physics
    Journal of Mathematical Chemistry (≥ 5 )
    Journal of Molecular Modeling
    Journal of Organic Chemistry
    Journal of Physical Chemistry ( ≥ 5 )
    Journal of Physical Chemistry Letters
    Journal of Physics A
    Journal of Zhejiang University, Science A
    Letters in Organic Chemistry
    Lubricants
    Materials
    Mathematics ( ≥ 5 )
    Molecular Physics
    Molecules ( ≥ 5 )
    Nanomaterials
    Photonics
    Physica A: Statistical Mechanics and its Applications ( ≥ 5 )
    Physica D: Nonlinear Phenomena
    Physical Chemistry Chemical Physics ( ≥ 5 )
    Polymers
    Quantum Reports
    Qeios
    Scientific Reports
    SIAM Journal on Numerical Analysis
    SIAM Journal on Optimization
    SIAM Journal on Scientific Calculation
    Structural Chemistry
    Symmetry ( ≥ 5 )
    Theoretical Chemical Accounts
    Vibration
    Statistics: WQ was ask for a report ≥ times



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