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MOLECULAR ELECTRIC POLARIZABILITIES - ELECTRIC-FIELD-VARIANT (EFV) GAUSSIAN BASIS SET FOR POLARIZABILITY CALCULATIONS
被引:170
作者
:
SADLEJ, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
POLISH ACAD SCI,INST ORGAN CHEM,PL-00961 WARSAW,POLAND
POLISH ACAD SCI,INST ORGAN CHEM,PL-00961 WARSAW,POLAND
SADLEJ, AJ
[
1
]
机构
:
[1]
POLISH ACAD SCI,INST ORGAN CHEM,PL-00961 WARSAW,POLAND
来源
:
CHEMICAL PHYSICS LETTERS
|
1977年
/ 47卷
/ 01期
关键词
:
D O I
:
10.1016/0009-2614(77)85304-9
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:50 / 54
页数:5
相关论文
共 30 条
[1]
APPELMAN BR, 1974, J CHEM PHYSICS, V60, P2574
[2]
ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS
[J].
COHEN, HD
论文数:
0
引用数:
0
h-index:
0
COHEN, HD
;
ROOTHAAN, CC
论文数:
0
引用数:
0
h-index:
0
ROOTHAAN, CC
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S034
-+
[3]
SELF-CONSISTENT PERTURBATION THEORY .I. GENERAL FORMULATION AND SOME APPLICATIONS
[J].
DIERCKSEN, G
论文数:
0
引用数:
0
h-index:
0
DIERCKSEN, G
;
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
:3554
-+
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[5]
SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
机构:
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DITCHFIELD, R
.
MOLECULAR PHYSICS,
1974,
27
(04)
:789
-807
[6]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
[J].
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
;
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
:1719
-&
[7]
CALCULATIONS OF HARTREE-FOCK POLARIZABILITIES FOR SOME SIMPLE ATOMS AND MOLECULES, AND THEIR PRACTICALITY
[J].
GUTSCHICK, VP
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
GUTSCHICK, VP
;
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
MCKOY, V
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(06)
:2397
-2401
[8]
AB-INITIO CALCULATION OF MAGNETIC SHIELDING WITH A FINITE PERTURBATION METHOD
[J].
HLADNIK, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
HLADNIK, M
;
PUMPERNIK, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
PUMPERNIK, D
;
ZAUCER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
ZAUCER, M
;
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
AZMAN, A
.
CHEMICAL PHYSICS LETTERS,
1976,
42
(02)
:361
-363
[9]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
[10]
THEORY OF NUCLEAR MAGNETIC SHIELDING IN DIATOMIC MOLECULES
[J].
KOLKER, HJ
论文数:
0
引用数:
0
h-index:
0
KOLKER, HJ
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
JOURNAL OF CHEMICAL PHYSICS,
1964,
41
(05)
:1259
-&
←
1
2
3
→
共 30 条
[1]
APPELMAN BR, 1974, J CHEM PHYSICS, V60, P2574
[2]
ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS
[J].
COHEN, HD
论文数:
0
引用数:
0
h-index:
0
COHEN, HD
;
ROOTHAAN, CC
论文数:
0
引用数:
0
h-index:
0
ROOTHAAN, CC
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S034
-+
[3]
SELF-CONSISTENT PERTURBATION THEORY .I. GENERAL FORMULATION AND SOME APPLICATIONS
[J].
DIERCKSEN, G
论文数:
0
引用数:
0
h-index:
0
DIERCKSEN, G
;
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
:3554
-+
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[5]
SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
机构:
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
DITCHFIELD, R
.
MOLECULAR PHYSICS,
1974,
27
(04)
:789
-807
[6]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
[J].
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
;
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
:1719
-&
[7]
CALCULATIONS OF HARTREE-FOCK POLARIZABILITIES FOR SOME SIMPLE ATOMS AND MOLECULES, AND THEIR PRACTICALITY
[J].
GUTSCHICK, VP
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
GUTSCHICK, VP
;
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
CALTECH, ARTHUR AMOS LAB CHEM PHYS, PAS ADENA, CA 91109 USA
MCKOY, V
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(06)
:2397
-2401
[8]
AB-INITIO CALCULATION OF MAGNETIC SHIELDING WITH A FINITE PERTURBATION METHOD
[J].
HLADNIK, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
HLADNIK, M
;
PUMPERNIK, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
PUMPERNIK, D
;
ZAUCER, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
ZAUCER, M
;
AZMAN, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LJUBLJANA, DEPT MATH, YU-61000 LJUBLJANA, YUGOSLAVIA
AZMAN, A
.
CHEMICAL PHYSICS LETTERS,
1976,
42
(02)
:361
-363
[9]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
:1293
-&
[10]
THEORY OF NUCLEAR MAGNETIC SHIELDING IN DIATOMIC MOLECULES
[J].
KOLKER, HJ
论文数:
0
引用数:
0
h-index:
0
KOLKER, HJ
;
KARPLUS, M
论文数:
0
引用数:
0
h-index:
0
KARPLUS, M
.
JOURNAL OF CHEMICAL PHYSICS,
1964,
41
(05)
:1259
-&
←
1
2
3
→