| Searching for saddle points of potential energy surfaces by following a reduced gradient W Quapp, M Hirsch, O Imig, D Heidrich Journal of computational chemistry 19 (9), 1087-1100, 1998 | 222 | 1998 |
| Bifurcation of reaction pathways: the set of valley ridge inflection points of a simple three-dimensional potential energy surface W Quapp, M Hirsch, D Heidrich Theoretical Chemistry Accounts 100, 285-299, 1998 | 174 | 1998 |
| Analysis of the concept of minimum energy path on the potential energy surface of chemically reacting systems W Quapp, D Heidrich Theoretica chimica acta 66, 245-260, 1984 | 173 | 1984 |
| Properties of chemically interesting potential energy surfaces D Heidrich, W Kliesch, W Quapp Springer Science & Business Media, 2012 | 135 | 2012 |
| High-temperature infrared measurements in the region of the bending fundamental of H12C14N, H12C15N, and H13C14N AG Maki, GC Mellau, S Klee, M Winnewisser, W Quapp Journal of Molecular Spectroscopy 202 (1), 67-82, 2000 | 119 | 2000 |
| Gradient extremals and valley floor bifurcations on potential energy surfaces W Quapp Theoretica chimica acta 75, 447-460, 1989 | 102 | 1989 |
| Reduced gradient methods and their relation to reaction paths W QUAPP Journal of Theoretical and Computational Chemistry 2 (03), 385-417, 2003 | 93 | 2003 |
| How does a reaction path branching take place? A classification of bifurcation events W Quapp Journal of molecular structure 695, 95-101, 2004 | 92 | 2004 |
| An approach to reaction path branching using valley–ridge inflection points of potential-energy surfaces W Quapp, M Hirsch, D Heidrich Theoretical Chemistry Accounts 112, 40-51, 2004 | 90 | 2004 |
| A growing string method for the reaction pathway defined by a Newton trajectory W Quapp The Journal of chemical physics 122 (17), 2005 | 87 | 2005 |
| Infrared transitions of H12C14N and H12C15N between 500 and 10 000 cm− 1 A Maki, W Quapp, S Klee, GC Mellau, S Albert Journal of molecular spectroscopy 180 (2), 323-336, 1996 | 79 | 1996 |
| Saddle points of index 2 on potential energy surfaces and their role in theoretical reactivity investigations D Heidrich, W Quapp Theoretica chimica acta 70, 89-98, 1986 | 72 | 1986 |
| A gradient-only algorithm for tracing a reaction path uphill to the saddle of a potential energy surface W Quapp Chemical physics letters 253 (3-4), 286-292, 1996 | 69 | 1996 |
| Test for non-linearity concerning linear calibrated chemical measurements L Brüggemann, W Quapp, R Wennrich Accreditation and quality assurance 11, 625-631, 2006 | 68 | 2006 |
| The set of valley–ridge inflection points on the potential energy surface of water M Hirsch, W Quapp, D Heidrich Physical Chemistry Chemical Physics 1 (23), 5291-5299, 1999 | 67 | 1999 |
| Intensities of hot-band transitions: HCN hot bands A Maki, W Quapp, S Klee Journal of Molecular Spectroscopy 171 (2), 420-434, 1995 | 60 | 1995 |
| Improved RGF method to find saddle points M Hirsch, W Quapp Journal of computational chemistry 23 (9), 887-894, 2002 | 58 | 2002 |
| The mechanism of a barrierless reaction: hidden transition state and hidden intermediates in the reaction of methylene with ethene H Joo, E Kraka, W Quapp, D Cremer Molecular Physics 105 (19-22), 2697-2717, 2007 | 56 | 2007 |
| Reaction pathways and convexity of the potential energy surface: application of Newton trajectories M Hirsch, W Quapp Journal of mathematical chemistry 36, 307-340, 2004 | 52 | 2004 |
| Reaction channels of the potential energy surface: application of Newton trajectories M Hirsch, W Quapp Journal of Molecular Structure: THEOCHEM 683 (1-3), 1-13, 2004 | 49 | 2004 |
Ibério de P. R. MoreiraAssociate Professor of Physical Chemistry, University of BarcelonaVerified email at ub.edu