APPLICATIONS OF SPIN-COUPLED VALENCE BOND THEORY

被引:289
作者
COOPER, DL
GERRATT, J
RAIMONDI, M
机构
[1] UNIV BRISTOL, SCH CHEM, BRISTOL BS8 1TS, AVON, ENGLAND
[2] UNIV MILAN, DIPARTIMENTO CHIM FIS & ELETTROCHIM, I-20133 MILAN, ITALY
关键词
D O I
10.1021/cr00005a014
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:929 / 964
页数:36
相关论文
共 110 条
[11]   NONNUCLEAR ATTRACTORS IN THE LI2 MOLECULE [J].
CIOSLOWSKI, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) :5496-5498
[12]  
Cooper D. L., 1987, ADV CHEM PHYS, V69, P319
[13]   THE SPIN-COUPLED APPROACH TO ELECTRONIC STRUCTURE [J].
Cooper, David L. ;
Gerratt, Joseph ;
Raimondi, Mario .
MOLECULAR SIMULATION, 1990, 4 (05) :293-312
[14]   POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B+(S-1,P-3) WITH H2 USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES [J].
COOPER, DL ;
GERRATT, J ;
RAIMONDI, M .
CHEMICAL PHYSICS LETTERS, 1986, 127 (06) :600-608
[15]   THE DIPOLE-MOMENT OF LIH(X-1-SIGMA+) - SPIN-COUPLED VALENCE-BOND STUDY [J].
COOPER, DL ;
GERRATT, J ;
RAIMONDI, M .
CHEMICAL PHYSICS LETTERS, 1985, 118 (06) :580-584
[16]  
COOPER DL, 1990, TOP CURR CHEM, V153, P41
[17]   STUDY OF THE SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION USING SPIN-COUPLED VALENCE BOND THEORY [J].
COOPER, DL ;
GERRATT, J ;
RAIMONDI, M ;
SIRONI, M .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (03) :1666-1676
[18]  
COOPER DL, 1991, J MOL STRUC-THEOCHEM, V75, P155, DOI 10.1016/0166-1280(91)90143-8
[19]  
COOPER DL, 1991, J MOL STRUC-THEOCHEM, V75, P189, DOI 10.1016/0166-1280(91)90145-A
[20]   THE USE OF UNIVERSAL EVEN-TEMPERED BASIS-SETS IN SPIN-COUPLED WAVEFUNCTIONS - THE ELECTRON-AFFINITY OF LI(S-2) [J].
COOPER, DL ;
GERRATT, J .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (20) :3703-3712