THEORETICAL-STUDY OF REACTIVE PROCESSES IN FH+2 SYSTEM BY ABINITIO MCSCF-CI AND DIATOMICS-IN-MOLECULES CALCULATIONS

被引：17

作者：

KENDRICK, J ^{[1
]}

KUNTZ, PJ ^{[1
]}

HILLIER, IH ^{[1
]}

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 68卷 / 05期

关键词：

D O I：

10.1063/1.436008

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：2373 / 2385

页数：13

共 46 条

[1]

Bates D., 1968, ADV AT MOL PHYS, V4, P13

[2] GROUND (2A1) AND FIRST EXCITED (2B1)PI)) STATES OF CH2+ AND BH2 [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 37 (03) :423-&

[3] EXPERIMENTAL POTENTIAL ENERGY CURVES FOR X2-PI AND 2-SIGMA+ STATES OF HF+ [J].

BERKOWITZ, J .

CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) :21-+

[4]

BOLOTIN AB, 1976, CHEM PHYS LETT, V37, P9, DOI 10.1016/0009-2614(76)80149-2

[5] NONEMPIRICAL LCAO-MO-SCF STUDY OF ENERGY SURFACE FOR LINEAR HEH2+ [J].

BROWN, PJ ;

HAYES, EF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :922-&

[6] NONADIABATIC MOLECULAR COLLISIONS - CHARGE-EXCHANGE AND CHEMICAL-REACTION IN AR+ +H2 SYSTEM [J].

CHAPMAN, S ;

PRESTON, RK .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (02) :650-659

[7] DYNAMICS OF REACTION OF AR+ WITH D2 [J].

CHIANG, M ;

GISLASON, EA ;

MAHAN, BH ;

TSAO, CW ;

WERNER, AS .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2698-&

[8] ISOTOPE EFFECTS UPON KINETICS OF ION-MOLECULE REACTIONS - KR+ + HD [J].

CHIVALAK, S ;

HIERL, PM .

CHEMICAL PHYSICS LETTERS, 1977, 45 (01) :99-102

[9] AB-INITIO STUDY OF X2-PI AND A2-SIGMA+ STATES OF OH .1. POTENTIAL CURVES AND PROPERTIES [J].

CHU, SI ;

YOSHIMINE, M ;

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5389-5395

[10]

DING A, 1968, Z NATURFORSCH PT A, VA 23, P2084

← 1 2 3 4 5 →