화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Double Many-Body Expansion Potential-Energy Surface for Ground-State HCN Based on Realistic Long-Range Forces and Accurate Ab-Initio Calculations
Varandas AJ, Rodrigues SP
Journal of Chemical Physics, 106(23), 9647, 1997
2 Energy Switching Approach to Potential Surfaces .2. 2-Valued Function for the Water Molecule
Varandas AJ
Journal of Chemical Physics, 107(3), 867, 1997
3 Toward a Single-Valued Dmbe Potential-Energy Surface for Chno((3)A) .1. Diatomic Fragments
Jimeno P, Rayez JC, Abreu PE, Varandas AJ
Journal of Physical Chemistry A, 101(26), 4828, 1997
4 Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2
Marques JM, Varandas AJ
Journal of Physical Chemistry A, 101(28), 5168, 1997
5 Energy Switching Approach to Potential Surfaces - An Accurate Single-Valued Function for the Water Molecule
Varandas AJ
Journal of Chemical Physics, 105(9), 3524, 1996
6 Dynamics of the Li+li-2 Reaction - Coexistence of Statistical and Direct Attributes
Pais AA, Voronin AI, Varandas AJ
Journal of Physical Chemistry, 100(18), 7480, 1996
7 3-Dimensional Time-Dependent Wavepacket Calculation of the Transition-State Resonances for Muh(2) and Mud(2) - Resonance Energies and Widths
Yu HG, Varandas AJ
Journal of Physical Chemistry, 100(35), 14598, 1996
8 Dynamics Study of the H+aro2 Multichannel Reaction
Marques JM, Wang W, Pais AA, Varandas AJ
Journal of Physical Chemistry, 100(44), 17513, 1996
9 3-Dimensional Quantum-Mechanical Rate Constants for the Reaction O+o-3-)2O(2), Employing a 6-Dimensional Potential-Energy Surface
Szichman H, Varandas AJ, Baer M
Journal of Chemical Physics, 102(8), 3474, 1995
10 Potential-Energy Surfaces for the Low-Lying (2)A States of HO2 via a Multivalued Double Many-Body Expansion - Modeling Basic Attributes
Varandas AJ, Voronin AI
Journal of Physical Chemistry, 99(43), 15846, 1995