共 15 条
FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
被引:32
作者:

BERNARDI, F
论文数: 0 引用数: 0
h-index: 0
机构: UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY

ROBB, MA
论文数: 0 引用数: 0
h-index: 0
机构: UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
机构:
[1] UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY
[2] UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
关键词:
D O I:
10.1021/ja00313a012
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
引用
收藏
页码:54 / 58
页数:5
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共 15 条
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- [3] ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) : 5758 - 5765DUPUIS, M论文数: 0 引用数: 0 h-index: 0
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- [7] ENERGY GRADIENT IN A MULTI-CONFIGURATIONAL SCF FORMALISM AND ITS APPLICATION TO GEOMETRY OPTIMIZATION OF TRIMETHYLENE DIRADICALS[J]. CHEMICAL PHYSICS LETTERS, 1979, 65 (01) : 19 - 25KATO, S论文数: 0 引用数: 0 h-index: 0机构: Institute for Molecular Science, Okazaki, 444, MyodaijiMOROKUMA, K论文数: 0 引用数: 0 h-index: 0机构: Institute for Molecular Science, Okazaki, 444, Myodaiji
- [8] ANALYTIC CONFIGURATION-INTERACTION (CL) GRADIENT TECHNIQUES FOR POTENTIAL-ENERGY HYPERSURFACES - A METHOD FOR OPENSHELL MOLECULAR WAVE-FUNCTIONS[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (06) : 2919 - 2922OSAMURA, Y论文数: 0 引用数: 0 h-index: 0YAMAGUCHI, Y论文数: 0 引用数: 0 h-index: 0SCHAEFER, HF论文数: 0 引用数: 0 h-index: 0
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