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Results: 1-18 |
Results: 18
Wave packet calculation of cross sections, product state distributions, and branching ratios for the O(D-1)+HCl reaction
Authors: Piermarini, V Balint-Kurti, GG Gray, SK Gogtas, F Lagana, A Hernandez, ML
Citation: V. Piermarini et al., Wave packet calculation of cross sections, product state distributions, and branching ratios for the O(D-1)+HCl reaction, J PHYS CH A, 105(24), 2001, pp. 5743-5750
Highly excited bound and low-lying resonance states of H2O
Authors: Gray, SK Goldfield, EM
Citation: Sk. Gray et Em. Goldfield, Highly excited bound and low-lying resonance states of H2O, J PHYS CH A, 105(12), 2001, pp. 2634-2641
Quantum mechanical calculation of reaction probabilities and branching ratios for the O(D-1)+HD -> OH(OD)+D(H) reaction on the (X)over-tilde(1)A ' and 1(1)A '' adiabatic potential energy surfaces
Authors: Hankel, M Balint-Kurti, GG Gray, SK
Citation: M. Hankel et al., Quantum mechanical calculation of reaction probabilities and branching ratios for the O(D-1)+HD -> OH(OD)+D(H) reaction on the (X)over-tilde(1)A ' and 1(1)A '' adiabatic potential energy surfaces, J PHYS CH A, 105(11), 2001, pp. 2330-2339
Wave packet dynamics of the N(S-4)+O-2(X (3)Sigma(-)(g))-> NO(X (2)Pi)+O(P-3) reaction on the X (2)A ' potential energy surface
Authors: Defazio, P Petrongolo, C Gray, SK Oliva, C
Citation: P. Defazio et al., Wave packet dynamics of the N(S-4)+O-2(X (3)Sigma(-)(g))-> NO(X (2)Pi)+O(P-3) reaction on the X (2)A ' potential energy surface, J CHEM PHYS, 115(7), 2001, pp. 3208-3214
An ab initio molecular dynamics study of S-0 ketene fragmentation
Authors: Forsythe, KM Gray, SK Klippenstein, SJ Hall, GE
Citation: Km. Forsythe et al., An ab initio molecular dynamics study of S-0 ketene fragmentation, J CHEM PHYS, 115(5), 2001, pp. 2134-2145
Dispersion fitted finite difference method with applications to molecular quantum mechanics
Authors: Gray, SK Goldfield, EM
Citation: Sk. Gray et Em. Goldfield, Dispersion fitted finite difference method with applications to molecular quantum mechanics, J CHEM PHYS, 115(18), 2001, pp. 8331-8344
Quantum mechanical model of localized electrons on the surface of polymer nanospheres
Authors: Gray, SK Sumpter, BG Noid, DW Barnes, MD
Citation: Sk. Gray et al., Quantum mechanical model of localized electrons on the surface of polymer nanospheres, CHEM P LETT, 333(3-4), 2001, pp. 308-313
Quantum mechanical calculation of product state distributions for the O(D-1)+H-2 -> OH+H reaction on the ground electronic state surface
Authors: Hankel, M Balint-Kurti, GG Gray, SK
Citation: M. Hankel et al., Quantum mechanical calculation of product state distributions for the O(D-1)+H-2 -> OH+H reaction on the ground electronic state surface, J CHEM PHYS, 113(21), 2000, pp. 9658-9667
Probing the effect of the H-2 rotational state in O(D-1)+H-2 -> OH+H: Theoretical dynamics including nonadiabatic effects and a crossed molecular beam study
Authors: Gray, SK Balint-Kurti, GG Schatz, GC Lin, JJ Liu, XH Harich, S Yang, XM
Citation: Sk. Gray et al., Probing the effect of the H-2 rotational state in O(D-1)+H-2 -> OH+H: Theoretical dynamics including nonadiabatic effects and a crossed molecular beam study, J CHEM PHYS, 113(17), 2000, pp. 7330-7344
A comparative study of the quantum dynamics and rate constants of the O(P-3)+HCl reaction described by two potential surfaces
Authors: Skokov, S Tsuchida, T Nanbu, S Bowman, JM Gray, SK
Citation: S. Skokov et al., A comparative study of the quantum dynamics and rate constants of the O(P-3)+HCl reaction described by two potential surfaces, J CHEM PHYS, 113(1), 2000, pp. 227-236
A transition state real wave packet approach for obtaining the cumulative reaction probability
Authors: Forsythe, KM Gray, SK
Citation: Km. Forsythe et Sk. Gray, A transition state real wave packet approach for obtaining the cumulative reaction probability, J CHEM PHYS, 112(6), 2000, pp. 2623-2633
Theoretical study of the potential energy surfaces and bound states of HCP
Authors: Nanbu, S Gray, SK Kinoshita, T Aoyagi, M
Citation: S. Nanbu et al., Theoretical study of the potential energy surfaces and bound states of HCP, J CHEM PHYS, 112(13), 2000, pp. 5866-5876
Helicity decoupled quantum dynamics and capture model cross sections and rate constants for O(D-1)+H-2 -> OH+H
Authors: Gray, SK Goldfield, EM Schatz, GC Balint-Kurti, GG
Citation: Sk. Gray et al., Helicity decoupled quantum dynamics and capture model cross sections and rate constants for O(D-1)+H-2 -> OH+H, PCCP PHYS C, 1(6), 1999, pp. 1141-1148
Quantum wave packet study of nonadiabatic effects in O(D-1)+H-2 -> OH+H
Authors: Gray, SK Petrongolo, C Drukker, K Schatz, GC
Citation: Sk. Gray et al., Quantum wave packet study of nonadiabatic effects in O(D-1)+H-2 -> OH+H, J PHYS CH A, 103(47), 1999, pp. 9448-9459
Quantum and quasiclassical reactive scattering of O(D-1)+HCl using an ab initio potential
Authors: Christoffel, KM Kim, K Skokov, S Bowman, JM Gray, SK
Citation: Km. Christoffel et al., Quantum and quasiclassical reactive scattering of O(D-1)+HCl using an ab initio potential, CHEM P LETT, 315(3-4), 1999, pp. 275-281
Quantum reactive scattering of O(D-1)+H-2 and O(D-1)+HD
Authors: Balint-Kurti, GG Gonzalez, AI Goldfield, EM Gray, SK
Citation: Gg. Balint-kurti et al., Quantum reactive scattering of O(D-1)+H-2 and O(D-1)+HD, FARADAY DIS, (110), 1998, pp. 169-183
Electron propagation along a nanowire: a study in chattering
Authors: Runge, K Sumpter, BG Noid, DW Gray, SK Yang, CY
Citation: K. Runge et al., Electron propagation along a nanowire: a study in chattering, NANOTECHNOL, 9(4), 1998, pp. 365-368
Accurate variational calculations and analysis of the HOCl vibrational energy spectrum
Authors: Skokov, S Qi, JX Bowman, JM Yang, CY Gray, SK Peterson, KA Mandelshtam, VA
Citation: S. Skokov et al., Accurate variational calculations and analysis of the HOCl vibrational energy spectrum, J CHEM PHYS, 109(23), 1998, pp. 10273-10283
Risultati: 1-18 |