화학공학소재연구정보센터
검색결과 : 19건
No. Article
1 Accurate reaction rate calculations including internal and rotational motion: A statistical multi-configurational time-dependent Hartree approach
Matzkies F, Manthe U
Journal of Chemical Physics, 110(1), 88, 1999
2 Fully converged integral cross sections of diatom-diatom reactions and the accuracy of the centrifugal sudden approximation in the H-2+OH reaction
Zhang DH, Lee SY
Journal of Chemical Physics, 110(9), 4435, 1999
3 Accurate quantum calculations of thermal rate constants employing MCTDH : H-2+OH -> H+H2O and D-2+OH -> D+DOH
Matzkies F, Manthe U
Journal of Chemical Physics, 108(12), 4828, 1998
4 Quantum reactive scattering for three-body systems via optimized preconditioning, as applied to the O+HCl reaction
Poirier B
Journal of Chemical Physics, 108(13), 5216, 1998
5 Correlation function formulation for the state selected total reaction probability
Garashchuk S, Tannor DJ
Journal of Chemical Physics, 109(8), 3028, 1998
6 The application of complex absorbing potentials to an invariant embedding scattering method : I. Theory and computational details
Huarte-Larranaga FH, Gimenez X, Aguilar A
Journal of Chemical Physics, 109(14), 5761, 1998
7 The effect of nonadiabatic coupling on the calculation of N(E,J) for the methane association reaction
Mardis KL, Sibert EL
Journal of Chemical Physics, 109(20), 8897, 1998
8 "Direct" and "correct" calculation of canonical and microcanonical rate constants for chemical reactions
Miller WH
Journal of Physical Chemistry A, 102(5), 793, 1998
9 A Multi-Configurational Time-Dependent Hartree Approach to the Direct Calculation of Thermal Rate Constants
Matzkies F, Manthe U
Journal of Chemical Physics, 106(7), 2646, 1997
10 Collisional Recombination Reaction H+o-2+m-)Ho2+m - Quantum-Mechanical Study Using Filter Diagonalization
Mandelshtam VA, Taylor HS, Miller WH
Journal of Chemical Physics, 105(2), 496, 1996