화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Experimental and quantum mechanical study of the H+D-2 reaction near 0.5 eV : The assessment of the H-3 potential energy surfaces
Banares L, Aoiz FJ, Herrero VJ, D'Mello MJ, Niederjohann B, Seekamp-Rahn K, Wrede E, Schnieder L
Journal of Chemical Physics, 108(15), 6160, 1998
2 "Direct" and "correct" calculation of canonical and microcanonical rate constants for chemical reactions
Miller WH
Journal of Physical Chemistry A, 102(5), 793, 1998
3 Application of Symplectic Integrator to Stationary Reactive-Scattering Problems - Inhomogeneous Schrodinger-Equation Approach
Takahashi K, Ikeda KS
Journal of Chemical Physics, 106(11), 4463, 1997
4 The Toeplitz Approach to Treating 3-Dimensional Reactive Exchange Processes - Quantum-Mechanical Cross-Sections and Rate Constants for the D+h-2 and H+d-2 Reactions
Charutz DM, Last I, Baer M
Journal of Chemical Physics, 106(18), 7654, 1997
5 Development of Accurate Quantum Dynamical Methods for Tetraatomic Reactions
Zhang JZ, Dai JQ, Zhu W
Journal of Physical Chemistry A, 101(15), 2746, 1997
6 An Accurate Multireference Configuration-Interaction Calculation of the Potential-Energy Surface for the F+h-2-)Hf+h Reaction
Stark K, Werner HJ
Journal of Chemical Physics, 104(17), 6515, 1996
7 Diabatic Approach to the Close-Coupling Wave-Packet Method in Reactive Scattering
Caratzoulas S, Jackson B
Journal of Chemical Physics, 105(19), 8639, 1996
8 Reactive Scattering with Row-Orthonormal Hyperspherical Coordinates .1. Transformation Properties and Hamiltonian for Triatomic Systems
Kuppermann A
Journal of Physical Chemistry, 100(7), 2621, 1996
9 Quantum Functional Sensitivity Analysis of the D+h-2 Reaction-Rate Coefficient via the Separable Rotation Approximation
Chang J, Brown NJ
Journal of Physical Chemistry, 100(45), 17740, 1996
10 Artificial Boundary Inhomogeneity Method for Quantum Scattering Solutions in an L(2) Basis
Jang HW, Light JC
Journal of Chemical Physics, 102(8), 3262, 1995