POTENTIAL SURFACE CROSSING IN CLASSICAL TRAJECTORY CALCULATIONS - APPLICATION TO COLLISION-INDUCED PREDISSOCIATION IN ELECTRONICALLY EXCITED I2

被引：16
|
作者：
GARETZ, B [1 ]
RUBINSON, M [1 ]
STEINFELD, JI [1 ]
机构：
[1] MIT, DEPT CHEM, CAMBRIDGE, MA 02139 USA
来源：
CHEMICAL PHYSICS LETTERS | 1974年 / 28卷 / 01期
关键词：
D O I：
10.1016/0009-2614(74)80031-X
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：120 / 124
页数：5
相关论文
共 50 条
  • [31] An improved classical approach quantum encounter treatment of collision-induced vibrational energy transfer. Application to He+CO (n(i)=1,2)
    Markovic, N
    Sewell, TD
    Nordholm, S
    Miklavc, A
    CHEMICAL PHYSICS, 1996, 211 (1-3) : 277 - 290
  • [32] Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar+CH3SH+ using an ab initio interpolated potential energy surface
    Martínez-Núñez, E
    Vázquez, SA
    Aoiz, FJ
    Castillo, JF
    JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (04): : 1225 - 1231
  • [33] Simulation of collision-induced absorption spectra based on classical trajectories and ab initio potential and induced dipole surfaces. I. Case study of N2-N2 rototranslational band
    Chistikov, Daniil N.
    Finenko, Artem A.
    Lokshtanov, Sergei E.
    Petrov, Sergey V.
    Vigasin, Andrey A.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (19):
  • [34] The collision-induced I2(E0g+→MD0u+) transitions, M = He, Ar, N2, CF4
    Akopyan, ME
    Pravilov, AM
    Stepanov, MB
    Zakharova, AA
    CHEMICAL PHYSICS, 2003, 287 (03) : 399 - 410
  • [35] Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface
    Liu, Yang
    Huang, Yin
    Ma, Jianyi
    Li, Jun
    JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 122 (06): : 1521 - 1530
  • [36] Collision-induced electronic energy transfer from v=0 of the E(0g+) ion-pair state in I2:: Collisions with He and Ar
    Fecko, CJ
    Freedman, MA
    Stephenson, TA
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (04): : 1361 - 1369
  • [37] The fragmentation of melamine: A study via electron-impact ionization, laser-desorption ionization, collision-induced dissociation, and density functional calculations of potential energy surface
    Ju, SS
    Han, CC
    Wu, CJ
    Mebel, AM
    Chen, YT
    JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (03): : 582 - 596
  • [38] Fragmentation of melamine: a study via electron-impact ionization, laser-desorption ionization, collision-induced dissociation, and density functional calculations of potential energy surface
    J Phys Chem B, 3 (582-596):
  • [39] Quasi-classical trajectory calculations on a fast analytic potential energy surface for the C(1D)+H2 reaction
    Bañares, L
    Aoiz, FJ
    Vázquez, SA
    Ho, TS
    Rabitz, H
    CHEMICAL PHYSICS LETTERS, 2003, 374 (3-4) : 243 - 251
  • [40] Quantum scattering and quasi-classical trajectory calculations for the H2+OH⇆H2O+H reaction on a new potential surface
    Pogrebnya, SK
    Palma, J
    Clary, DC
    Echave, J
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (04) : 693 - 700
12345