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Results: 1-10 |
Results: 10
Valley ridge inflection points on the potential energy surfaces of H2S, and H2SeH2CO
Authors: Quapp, W Melnikov, V
Citation: W. Quapp et V. Melnikov, Valley ridge inflection points on the potential energy surfaces of H2S, and H2SeH2CO, PHYS CHEM P, 3(14), 2001, pp. 2735-2741
Searching minima of an n-dimensional surface: A robust valley following method
Authors: Quapp, W
Citation: W. Quapp, Searching minima of an n-dimensional surface: A robust valley following method, COMPUT MATH, 41(3-4), 2001, pp. 407-414
Comment "On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states"
Authors: Quapp, W
Citation: W. Quapp, Comment "On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states", J COMPUT CH, 22(5), 2001, pp. 537-540
Comment on "Critical points and reaction paths characterization on a potential energy hypersurface" [J. Chem. Phys. 112, 4923 (2000)]
Authors: Quapp, W
Citation: W. Quapp, Comment on "Critical points and reaction paths characterization on a potential energy hypersurface" [J. Chem. Phys. 112, 4923 (2000)], J CHEM PHYS, 114(1), 2001, pp. 609-610
Following the streambed reaction on potential-energy surfaces: a new robust method
Authors: Quapp, W Hirsch, M Heidrich, D
Citation: W. Quapp et al., Following the streambed reaction on potential-energy surfaces: a new robust method, THEOR CH AC, 105(2), 2000, pp. 145-155
A genetic algorithm based technique for locating first-order saddle point using a gradient dominated recipe
Authors: Chaudhury, P Bhattacharyya, SP Quapp, W
Citation: P. Chaudhury et al., A genetic algorithm based technique for locating first-order saddle point using a gradient dominated recipe, CHEM PHYS, 253(2-3), 2000, pp. 295-303
High-temperature infrared measurements in the region of the bending fundamental of (HCN)-C-12-N-14, (HCN)-C-12-N-15, and (HCN)-C-13-N-14
Authors: Maki, AG Mellau, GC Klee, S Winnewisser, M Quapp, W
Citation: Ag. Maki et al., High-temperature infrared measurements in the region of the bending fundamental of (HCN)-C-12-N-14, (HCN)-C-12-N-15, and (HCN)-C-13-N-14, J MOL SPECT, 202(1), 2000, pp. 67-82
The set of valley-ridge inflection points on the potential energy surface of water
Authors: Hirsch, M Quapp, W Heidrich, D
Citation: M. Hirsch et al., The set of valley-ridge inflection points on the potential energy surface of water, PCCP PHYS C, 1(23), 1999, pp. 5291-5299
Climbing the bending vibrational ladder in (DCN)-C-13-N-15 by hot gas emission spectroscopy
Authors: Quapp, W Hirsch, M Mellau, GC Klee, S Winnewisser, M Maki, A
Citation: W. Quapp et al., Climbing the bending vibrational ladder in (DCN)-C-13-N-15 by hot gas emission spectroscopy, J MOL SPECT, 195(2), 1999, pp. 284-298
Bifurcation of reaction pathways: the set of valley ridge inflection points of a simple three-dimensional potential energy surface
Authors: Quapp, W Hirsch, M Heidrich, D
Citation: W. Quapp et al., Bifurcation of reaction pathways: the set of valley ridge inflection points of a simple three-dimensional potential energy surface, THEOR CH AC, 100(5-6), 1998, pp. 285-299
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