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A MULTIREFERENCE ENERGY DECOMPOSITION SCHEME WITH RESPECT TO FRAGMENT VALENCE STATES
被引:6
作者
:
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
BERNARDI, F
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
BOTTONI, A
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORGAN,BOLOGNA,ITALY
ROBB, MA
机构
:
[1]
IST CHIM ORGAN,BOLOGNA,ITALY
[2]
UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
来源
:
THEORETICA CHIMICA ACTA
|
1984年
/ 64卷
/ 04期
关键词
:
D O I
:
10.1007/BF00551011
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:259 / 263
页数:5
相关论文
共 7 条
[1]
BERNARDI F, 1982, MOL STRUCTURE CONFOR, V3
[2]
BERNARDI F, MOL PHYS
[3]
DIRECT MINIMIZATION IN MC SCF THEORY - THE QUASI-NEWTON METHOD
EADE, RHA
论文数:
0
引用数:
0
h-index:
0
EADE, RHA
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
[J].
CHEMICAL PHYSICS LETTERS,
1981,
83
(02)
: 362
-
368
[4]
APPLICATION OF UNITARY GROUP-METHODS TO CONFIGURATION-INTERACTION CALCULATIONS
HEGARTY, D
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
HEGARTY, D
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
ROBB, MA
[J].
MOLECULAR PHYSICS,
1979,
38
(06)
: 1795
-
1812
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
[6]
ORIGIN OF BARRIERS TO INTERNAL-ROTATION - ENERGY DECOMPOSITION STUDY FOR CH3-CH3, CH3-NH2, AND CH3-OH
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
UMEYAMA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UMEYAMA, H
[J].
CHEMICAL PHYSICS LETTERS,
1977,
49
(02)
: 333
-
337
[7]
[No title captured]
←
1
→
共 7 条
[1]
BERNARDI F, 1982, MOL STRUCTURE CONFOR, V3
[2]
BERNARDI F, MOL PHYS
[3]
DIRECT MINIMIZATION IN MC SCF THEORY - THE QUASI-NEWTON METHOD
EADE, RHA
论文数:
0
引用数:
0
h-index:
0
EADE, RHA
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
[J].
CHEMICAL PHYSICS LETTERS,
1981,
83
(02)
: 362
-
368
[4]
APPLICATION OF UNITARY GROUP-METHODS TO CONFIGURATION-INTERACTION CALCULATIONS
HEGARTY, D
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
HEGARTY, D
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Queen Elizabeth College, University of London, London, W8 7AH, Campden Hill Road
ROBB, MA
[J].
MOLECULAR PHYSICS,
1979,
38
(06)
: 1795
-
1812
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
[6]
ORIGIN OF BARRIERS TO INTERNAL-ROTATION - ENERGY DECOMPOSITION STUDY FOR CH3-CH3, CH3-NH2, AND CH3-OH
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
UMEYAMA, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UMEYAMA, H
[J].
CHEMICAL PHYSICS LETTERS,
1977,
49
(02)
: 333
-
337
[7]
[No title captured]
←
1
→