REACTIVE SCATTERING CALCULATIONS ON A SPLINEFITTED AB-INITIO SURFACE - HE+H-+(2)(V=O,1,2)-]HEH-++H REACTION

被引：51

作者：

SATHYAMURTHY, N ^{[1
]}

RANGARAJAN, R ^{[1
]}

RAFF, LM ^{[1
]}

机构：

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 11期

关键词：

D O I：

10.1063/1.432095

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：4606 / 4611

页数：6

共 29 条

[11] EFFECT OF CURVATURE OF REACTION PATH ON DYNAMIC EFFECTS IN ENDOTHERMIC CHEMICAL-REACTIONS AND PRODUCT ENERGIES IN EXOTHERMIC REACTIONS [J].

DUFF, JW ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) :2477-2491

[12] EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].

KARPLUS, M ;

SHARMA, RD .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&

[13] COMPARISON OF QUANTUM-MECHANICAL AND QUASICLASSICAL SCATTERING AS A FUNCTION OF SURFACE TOPOLOGY [J].

KELLERHALS, GE ;

SATHYAMURTHY, N ;

RAFF, LM .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) :818-825

[14] COLLINEAR QUANTUM-MECHANICAL CALCULATIONS OF HE + H2+ PROTON-TRANSFER REACTION [J].

KOURI, DJ ;

BAER, M .

CHEMICAL PHYSICS LETTERS, 1974, 24 (01) :37-40

[15] TRAJECTORY CALCULATIONS FOR REACTION H2++HE-]H+HEH+ [J].

KUNTZ, PJ ;

WHITTON, WN .

CHEMICAL PHYSICS LETTERS, 1975, 34 (02) :340-342

[16] USE OF METHOD OF DIATOMICS-IN-MOLECULES IN FITTING AB-INITIO POTENTIAL SURFACES - SYSTEM HEH2+ [J].

KUNTZ, PJ .

CHEMICAL PHYSICS LETTERS, 1972, 16 (03) :581-&

[17]

KUPPERMANN A, 1971, 7 INT C PHYS EL AT C

[18]

MCLAUGHLIN DJ, COMMUNICATION

[19] 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

[20] LOCATION OF ENERGY BARRIERS .2. CORRELATION WITH BARRIER HEIGHT [J].

MOK, MH ;

POLANYI, JC .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (04) :1451-&

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