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THE EFFECT OF INNER-SHELL POLARIZATION ON DIAGONAL STRETCHING FORCE-CONSTANTS
被引:4
作者
:
SELLERS, H
论文数:
0
引用数:
0
h-index:
0
SELLERS, H
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1985年
/ 115卷
/ 4-5期
关键词
:
D O I
:
10.1016/0009-2614(85)85157-5
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:401 / 404
页数:4
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SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
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[J].
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SYSTEMATIC ABINITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE-MOMENT DERIVATIVES
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UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
PULAY, P
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FOGARASI, G
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BOGGS, JE
[J].
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A SYSTEMATIC STUDY OF THE CONVERGENCE AND ADDITIVITY OF CORRELATION AND BASIS SET EFFECTS ON THE FORCE-CONSTANTS OF SMALL MOLECULES - HF, HCN, AND NH3
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A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE AMMONIUM ION NH-4(+) AND OTHER SIMPLE MOLECULES
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UNIV TEXAS, INST THEORET CHEM, AUSTIN, TX 78712 USA
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共 5 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
BINKLEY, JS
SEEGER, R
论文数:
0
引用数:
0
h-index:
0
SEEGER, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(01)
: 650
-
654
[2]
SYSTEMATIC ABINITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE-MOMENT DERIVATIVES
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
PULAY, P
FOGARASI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FOGARASI, G
PANG, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
PANG, F
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BOGGS, JE
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(10)
: 2550
-
2560
[3]
A SYSTEMATIC STUDY OF THE CONVERGENCE AND ADDITIVITY OF CORRELATION AND BASIS SET EFFECTS ON THE FORCE-CONSTANTS OF SMALL MOLECULES - HF, HCN, AND NH3
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN CHEM,H-1364 BUDAPEST 5,HUNGARY
PULAY, P
LEE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN CHEM,H-1364 BUDAPEST 5,HUNGARY
LEE, JG
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN CHEM,H-1364 BUDAPEST 5,HUNGARY
BOGGS, JE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(07)
: 3382
-
3391
[4]
PULAY P, COMMUNICATION
[5]
A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE AMMONIUM ION NH-4(+) AND OTHER SIMPLE MOLECULES
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, INST THEORET CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, INST THEORET CHEM, AUSTIN, TX 78712 USA
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS, INST THEORET CHEM, AUSTIN, TX 78712 USA
UNIV TEXAS, INST THEORET CHEM, AUSTIN, TX 78712 USA
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(05)
: 2310
-
2318
←
1
→