INELASTIC-SCATTERING CALCULATIONS IN POLYATOMIC SYSTEMS USING AN ABINITIO INTERMOLECULAR POTENTIAL-ENERGY SURFACE - CO2STAR(0,0,1,0)+H2(D2)-]CO2(0,0,0,0)+(H2D2) SYSTEMS

被引：43

作者：

SATHYAMURTHY, N ^{[1
]}

RAFF, LM ^{[1
]}

机构：

[1] OKLAHOMA STATE UNIV, DEPT CHEM, STILLWATER, OK 74074 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1977年 / 66卷 / 05期

关键词：

D O I：

10.1063/1.434137

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

页码：2191 / 2211

页数：21

共 100 条

[51] INTERACTION POTENTIAL BETWEEN LI+ AND H2 .2. REGION APPROPRIATE FOR VIBRATIONAL EXCITATION [J].

LESTER, WA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (07) :3171-&

[52]

Lischka H, 1973, CHEM PHYS, V2, P191, DOI 10.1016/0301-0104(73)80005-9

[53] AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3 [J].

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1925-1937

[54] THEORY OF SEMICLASSICAL TRANSITION PROBABILITIES (S-MATRIX) FOR INELASTIC AND REACTIVE COLLISIONS [J].

MARCUS, RA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (09) :3965-&

[55] AN ALGORITHM FOR LEAST-SQUARES ESTIMATION OF NONLINEAR PARAMETERS [J].

MARQUARDT, DW .

JOURNAL OF THE SOCIETY FOR INDUSTRIAL AND APPLIED MATHEMATICS, 1963, 11 (02) :431-441

[56] DYNAMICS OF COLLINEAR H+H2 REACTION .1. PROBABILITY DENSITY AND FLUX [J].

MCCULLOUGH, EA ;

WYATT, RE .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (08) :3578-+

[57]

MCLAUGHLIN DJ, COMMUNICATION

[58] AB-INITIO DYNAMICS - HEH+ + H2 -] HE + H3+ (C 2NU) CLASSICAL TRAJECTORIES USING A QUANTUM-MECHANICAL POTENTIAL-ENERGY SURFACE [J].

MCLAUGHLIN, DR ;

THOMPSON, DL .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) :4393-4405

[59] QUANTUM-MECHANICAL TRANSITION-STATE THEORY AND A NEW SEMICLASSICAL MODEL FOR REACTION-RATE CONSTANTS [J].

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05) :1823-1834

[60] SEMICLASSICAL THEORY OF ATOM-DIATOM COLLISIONS - PATH INTEGRALS AND CLASSICAL S MATRIX [J].

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) :1949-&

← 1 2 3 4 5 6 7 8 9 10 →