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
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共 110 条
[1]  
[Anonymous], 1986, AB INITIO MOL ORBITA
[2]  
BACCHUS MC, COMMUNICATION
[3]   ABINITIO POTENTIAL-ENERGY CURVES AND RADIAL AND ROTATIONAL COUPLINGS FOR THE PROCESS N-5++HE-]N-4++HE+ [J].
BACCHUSMONTABONEL, MC .
PHYSICAL REVIEW A, 1987, 36 (05) :1994-2001
[4]   CALCULATION OF POTENTIAL-ENERGY CURVES FOR ELECTRON-CAPTURE BY C3+ FROM NEUTRAL LITHIUM USING SPIN-COUPLED VB THEORY [J].
BARNARD, SA ;
FORD, MJ ;
COOPER, DL ;
GERRATT, J ;
RAIMONDI, M .
MOLECULAR PHYSICS, 1987, 61 (05) :1193-1198
[5]   THEORETICAL-STUDIES OF THE TRANSITION-METAL CARBONYL SYSTEMS TICO, SCCO, VCO AND TI(CO)2, SC(CO)2, V(CO)2 [J].
BARNES, LA ;
BAUSCHLICHER, CW .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (01) :314-330
[6]   A FULL CL TREATMENT OF THE 1A1-3B1 SEPARATION IN METHYLENE [J].
BAUSCHLICHER, CW ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6510-6512
[7]   SYSTEMATIC ABINITIO CONFIGURATION-INTERACTION STUDY OF ALKALI-METAL CLUSTERS - RELATION BETWEEN ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL LI CLUSTERS [J].
BOUSTANI, I ;
PEWESTORF, W ;
FANTUCCI, P ;
BONACICKOUTECKY, V ;
KOUTECKY, J .
PHYSICAL REVIEW B, 1987, 35 (18) :9437-9450
[8]   LONG INTERBRIDGEHEAD BONDS IN ACCEPTOR-SUBSTITUTED BICYCLOBUTANES [J].
BUDZELAAR, PHM ;
KRAKA, E ;
CREMER, D ;
SCHLEYER, PV .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (04) :561-567
[9]   ON THE PRESENCE OF NONNUCLEAR ATTRACTORS IN THE CHARGE-DISTRIBUTIONS OF LI AND NA CLUSTERS [J].
CAO, WL ;
GATTI, C ;
MACDOUGALL, PJ ;
BADER, RFW .
CHEMICAL PHYSICS LETTERS, 1987, 141 (05) :380-385
[10]   THEORETICAL DIPOLE-MOMENTS FOR THE 1ST-ROW TRANSITION-METAL HYDRIDES [J].
CHONG, DP ;
LANGHOFF, SR ;
BAUSCHLICHER, CW ;
WALCH, SP .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) :2850-2860