검색결과 : 5건
No. | Article |
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1 |
Combined iterative diagonalization and statistical sampling in accurate reaction rate calculations: Rotational effects in O+HCl -> OH+Cl Matzkies F, Manthe U Journal of Chemical Physics, 112(1), 130, 2000 |
2 |
Rotational effects in the H-2+OH -> H+H2O reaction rate: Full-dimensional close-coupling results Manthe U, Matzkies F Journal of Chemical Physics, 113(14), 5725, 2000 |
3 |
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 |
4 |
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 |
5 |
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 |