POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B+(S-1,P-3) WITH H2 USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES

被引：18

作者：

COOPER, DL

GERRATT, J

RAIMONDI, M

机构：

[1] UNIV MILAN,DEPT CHIM FIS & ELETTROCHIM,I-20133 MILAN,ITALY

[2] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 127卷 / 06期

关键词：

D O I：

10.1016/0009-2614(86)80616-9

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：600 / 608

页数：9

相关论文

共 22 条

[1] ORBITAL DESCRIPTION OF POTENTIAL-ENERGY CURVES AND PROPERTIES OF LOWER EXCITED-STATES OF BH-MOLECULE
BLINT, RJ
GODDARD, WA
[J]. CHEMICAL PHYSICS, 1974, 3 (03) : 297 - 316
[2] Cooper D.L., 1984, FARADAY S CHEM SOC, V19, P149
[3] THE DIPOLE-MOMENT OF LIH(X-1-SIGMA+) - SPIN-COUPLED VALENCE-BOND STUDY
COOPER, DL
GERRATT, J
RAIMONDI, M
[J]. CHEMICAL PHYSICS LETTERS, 1985, 118 (06) : 580 - 584
[4] COOPER DL, UNPUB MOL PHYS
[5] FRIEDRICH B, 1982, CHEM PHYS, V69, P433, DOI 10.1016/0301-0104(82)88081-6
[6] THE SPIN-COUPLED VALENCE BOND THEORY OF MOLECULAR ELECTRONIC-STRUCTURE .1. BASIC THEORY AND APPLICATION TO THE 2-SIGMA + STATES OF BEH
GERRATT, J
RAIMONDI, M
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 371 (1747): : 525 - 552
[7] SPIN-COUPLED VB THEORY OF MOLECULAR ELECTRONIC-STRUCTURE - GROUND AND LOW-LYING 1-SIGMA+ STATES OF CH+
GERRATT, J
MANLEY, JC
RAIMONDI, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (04) : 2014 - 2021
[8] THE POTENTIAL-ENERGY CURVES OF BH+
GUEST, MF
HIRST, DM
[J]. CHEMICAL PHYSICS LETTERS, 1981, 80 (01) : 131 - 134
[9] ABINITIO POTENTIAL-ENERGY SURFACES FOR BH2+
HIRST, DM
[J]. CHEMICAL PHYSICS LETTERS, 1983, 95 (06) : 591 - 595
[10] Huber K. P., 1979, MOL SPECTRA MOL STRU