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 |