화학공학소재연구정보센터
검색결과 : 25건
No. Article
1 Ab initio calculation of resonance energies and widths of HOCl(7 nu(OH) and 8 nu(OH)) and comparison with experiment
Zou SL, Skokov S, Bowman JM
Chemical Physics Letters, 339(3-4), 290, 2001
2 The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data
Weiss J, Hauschildt J, Schinke R, Haan O, Skokov S, Bowman JM, Mandelshtam VA, Peterson KA
Journal of Chemical Physics, 115(19), 8880, 2001
3 Thermal and state-selected rate coefficients for the O(P-3)+HCl reaction and new calculations of the barrier height and width
Skokov S, Zou SL, Bowman JM, Allison TC, Truhlar DG, Lin YJ, Ramachandran B, Garrett BC, Lynch BJ
Journal of Physical Chemistry A, 105(11), 2298, 2001
4 Adiabatic rotation, centrifugal sudden, and exact calculations of rotationally mediated Fermi resonances in HOCl
Zou SL, Skokov S, Bowman JM
Journal of Physical Chemistry A, 105(11), 2423, 2001
5 State-to-state reactive scattering via real L-2 wave packet propagation for reduced dimensionality AB plus CD reactions
Skokov S, Bowman JM
Journal of Physical Chemistry A, 105(12), 2502, 2001
6 A comparative study of the quantum dynamics and rate constants of the O(P-3)+HCl reaction described by two potential surfaces
Skokov S, Tsuchida T, Nanbu S, Bowman JM, Gray SK
Journal of Chemical Physics, 113(1), 227, 2000
7 A reduced dimensionality quantum calculation of the reaction of H-2 with diamond (111) surface
Skokov S, Bowman JM
Journal of Chemical Physics, 113(2), 779, 2000
8 Quantum calculations of the effect of bend excitation in methane on the HCl rotational distribution in the reaction CH4+Cl -> CH3+HCl
Skokov S, Bowman JM
Journal of Chemical Physics, 113(11), 4495, 2000
9 Theoretical study of the photodetachment spectroscopy of the IHBr and IDBr anions
Kaledin A, Skokov S, Bowman JM, Morokuma K
Journal of Chemical Physics, 113(21), 9479, 2000
10 Vibrational dynamics up to the dissociation threshold: A case study of two-dimensional HOCl
Joyeux M, Sugny D, Lombardi M, Jost R, Schinke R, Skokov S, Bowman J
Journal of Chemical Physics, 113(21), 9610, 2000