学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
COMBINED BOND POLARIZATION FUNCTION BASIS-SETS FOR ACCURATE ABINITIO CALCULATION OF THE DISSOCIATION-ENERGIES OF AHN MOLECULES (A = LI TO F)
被引:25
作者
:
MARTIN, JML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
MARTIN, JML
[
1
]
FRANCOIS, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
FRANCOIS, JP
[
1
]
GIJBELS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
GIJBELS, R
[
1
]
机构
:
[1]
UNIV INSTELLING ANTWERP, DEPT CHEM, B-2610 WILRIJK, BELGIUM
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1989年
/ 10卷
/ 02期
关键词
:
D O I
:
10.1002/jcc.540100203
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:152 / 162
页数:11
相关论文
共 66 条
[1]
GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
ALMLOF, J
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
TAYLOR, PR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(07)
: 4070
-
4077
[2]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[3]
BAUSCHLICHER CW, 1980, ICASE809 NASA LANGL
[4]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[5]
Binkley J. S, 1982, GAUSSIAN 82
[6]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[7]
BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701
[8]
BINKLEY JS, 1987, GAUSSIAN 86 RELEASE
[9]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
[J].
MOLECULAR PHYSICS,
1970,
19
(04)
: 553
-
&
[10]
ANALYSIS OF CORRELATING VERSUS POLARIZING ROLE OF BOND FUNCTIONS IN CEPA-PNO COMPUTATIONS OF DIAZENE
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
BURTON, PG
[J].
MOLECULAR PHYSICS,
1977,
34
(01)
: 51
-
63
←
1
2
3
4
5
6
7
→
共 66 条
[1]
GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
ALMLOF, J
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455
TAYLOR, PR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(07)
: 4070
-
4077
[2]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[3]
BAUSCHLICHER CW, 1980, ICASE809 NASA LANGL
[4]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[5]
Binkley J. S, 1982, GAUSSIAN 82
[6]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[7]
BINKLEY JS, 1974, MOL PHYS, V28, P1423, DOI 10.1080/00268977400102701
[8]
BINKLEY JS, 1987, GAUSSIAN 86 RELEASE
[9]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
[J].
MOLECULAR PHYSICS,
1970,
19
(04)
: 553
-
&
[10]
ANALYSIS OF CORRELATING VERSUS POLARIZING ROLE OF BOND FUNCTIONS IN CEPA-PNO COMPUTATIONS OF DIAZENE
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
BURTON, PG
[J].
MOLECULAR PHYSICS,
1977,
34
(01)
: 51
-
63
←
1
2
3
4
5
6
7
→