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AN INTRINSIC LOCALIZATION PROCEDURE FOR ACTIVE CAS SCF ORBITALS
被引:30
作者
:
MCDOUALL, JJW
论文数:
0
引用数:
0
h-index:
0
MCDOUALL, JJW
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
ROBB, MA
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1986年
/ 132卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(86)80132-4
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:319 / 324
页数:6
相关论文
共 15 条
[1]
CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
[J].
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
: 296
-
299
[2]
BOYS SF, 1960, REV MOD PHYS, V32, P300
[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]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
[J].
REVIEWS OF MODERN PHYSICS,
1963,
35
(03)
: 457
-
&
[5]
CONCERTED NATURE OF 1,3-DIPOLAR CYCLOADDITIONS AND QUESTION OF DIRADICAL INTERMEDIATES
HUISGEN, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH,INST ORG CHEM,8 MUNICH,FED REP GER
UNIV MUNICH,INST ORG CHEM,8 MUNICH,FED REP GER
HUISGEN, R
[J].
JOURNAL OF ORGANIC CHEMISTRY,
1976,
41
(03)
: 403
-
419
[6]
UNIFORM LOCALIZATION OF ATOMIC AND MOLECULAR ORBITALS .2.
MAGNASCO, V
论文数:
0
引用数:
0
h-index:
0
MAGNASCO, V
PERICO, A
论文数:
0
引用数:
0
h-index:
0
PERICO, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(02)
: 800
-
&
[7]
McWeeny R., 1969, METHODS MOL QUANTUM
[8]
ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .2. ANALYSIS OF FORS ORBITALS
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
RUEDENBERG, K
SCHMIDT, MW
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
SCHMIDT, MW
GILBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
GILBERT, MM
[J].
CHEMICAL PHYSICS,
1982,
71
(01)
: 51
-
64
[9]
ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .3. ANALYSIS OF FORS CONFIGURATIONS
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
RUEDENBERG, K
SCHMIDT, MW
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
SCHMIDT, MW
GILBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
GILBERT, MM
ELBERT, ST
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
ELBERT, ST
[J].
CHEMICAL PHYSICS,
1982,
71
(01)
: 65
-
78
[10]
ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .1. THE FORS MODEL
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
RUEDENBERG, K
SCHMIDT, MW
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
SCHMIDT, MW
GILBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
GILBERT, MM
ELBERT, ST
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
ELBERT, ST
[J].
CHEMICAL PHYSICS,
1982,
71
(01)
: 41
-
49
←
1
2
→
共 15 条
[1]
CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
[J].
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
: 296
-
299
[2]
BOYS SF, 1960, REV MOD PHYS, V32, P300
[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]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
[J].
REVIEWS OF MODERN PHYSICS,
1963,
35
(03)
: 457
-
&
[5]
CONCERTED NATURE OF 1,3-DIPOLAR CYCLOADDITIONS AND QUESTION OF DIRADICAL INTERMEDIATES
HUISGEN, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MUNICH,INST ORG CHEM,8 MUNICH,FED REP GER
UNIV MUNICH,INST ORG CHEM,8 MUNICH,FED REP GER
HUISGEN, R
[J].
JOURNAL OF ORGANIC CHEMISTRY,
1976,
41
(03)
: 403
-
419
[6]
UNIFORM LOCALIZATION OF ATOMIC AND MOLECULAR ORBITALS .2.
MAGNASCO, V
论文数:
0
引用数:
0
h-index:
0
MAGNASCO, V
PERICO, A
论文数:
0
引用数:
0
h-index:
0
PERICO, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(02)
: 800
-
&
[7]
McWeeny R., 1969, METHODS MOL QUANTUM
[8]
ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .2. ANALYSIS OF FORS ORBITALS
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
RUEDENBERG, K
SCHMIDT, MW
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
SCHMIDT, MW
GILBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
GILBERT, MM
[J].
CHEMICAL PHYSICS,
1982,
71
(01)
: 51
-
64
[9]
ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .3. ANALYSIS OF FORS CONFIGURATIONS
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
RUEDENBERG, K
SCHMIDT, MW
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
SCHMIDT, MW
GILBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
GILBERT, MM
ELBERT, ST
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
ELBERT, ST
[J].
CHEMICAL PHYSICS,
1982,
71
(01)
: 65
-
78
[10]
ARE ATOMS INTRINSIC TO MOLECULAR ELECTRONIC WAVEFUNCTIONS .1. THE FORS MODEL
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
RUEDENBERG, K
SCHMIDT, MW
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
SCHMIDT, MW
GILBERT, MM
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
GILBERT, MM
ELBERT, ST
论文数:
0
引用数:
0
h-index:
0
机构:
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
ELBERT, ST
[J].
CHEMICAL PHYSICS,
1982,
71
(01)
: 41
-
49
←
1
2
→