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MOLECULAR-ORBITAL THEORY OF THE PROPERTIES OF INORGANIC AND ORGANO-METALLIC COMPOUNDS .2. STO-NG BASIS-SETS FOR 4TH-ROW MAIN-GROUP ELEMENTS
被引:69
作者
:
PIETRO, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
PIETRO, WJ
BLUROCK, ES
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BLUROCK, ES
HOUT, RF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HOUT, RF
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
HEHRE, WJ
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
DEFREES, DJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
STEWART, RF
机构
:
[1]
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
[2]
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
来源
:
INORGANIC CHEMISTRY
|
1981年
/ 20卷
/ 11期
关键词
:
D O I
:
10.1021/ic50225a013
中图分类号
:
O61 [无机化学];
学科分类号
:
070301 ;
081704 ;
摘要
:
引用
收藏
页码:3650 / 3654
页数:5
相关论文
共 27 条
[1]
ELECTRON CORRELATION AND REALITY OF XENON DIFLUORIDE
BAGUS, PS
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LIU, B
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LIU, B
LISKOW, DH
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0
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0
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0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
LISKOW, DH
SCHAEFER, HF
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0
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0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
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[J].
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[2]
SELF-CONSISTENT-FIELD STUDY OF SERIES XEF2, XEF4, XEF6
BASCH, H
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0
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0
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BASCH, H
MOSKOWIT.JW
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0
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0
h-index:
0
MOSKOWIT.JW
HOLLISTE.C
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HOLLISTE.C
HANKIN, D
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0
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0
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HANKIN, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
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&
[3]
ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS .2. ATOMS WITH 37 TO 86 ELECTRONS
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RAIMONDI, DL
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REINHARDT, WP
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REINHARDT, WP
[J].
JOURNAL OF CHEMICAL PHYSICS,
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: 1300
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+
[4]
COHEN I, 1972, J CHEM PHYS, V57, P5075
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
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机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
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机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
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BINKLEY, JS
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OCE-CALCAULATIONS WITH MINIMAL STO-SETS ON TIN HYDRIDES OF TYPE SNHN, SNHN+ AND SNHN-(N=3,4OR5)
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[J].
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-
&
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
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Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
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Department of Chemistry, Carnegie-Mellon University, Pittsburgh
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[J].
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POPLE, JA
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引用数:
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[J].
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1970,
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(05)
: 2769
-
+
[10]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
KAHN, LR
BAYBUTT, P
论文数:
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引用数:
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BAYBUTT, P
TRUHLAR, DG
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0
引用数:
0
h-index:
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BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 3826
-
3853
←
1
2
3
→
共 27 条
[1]
ELECTRON CORRELATION AND REALITY OF XENON DIFLUORIDE
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
BAGUS, PS
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
LIU, B
LISKOW, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
LISKOW, DH
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF, DEPT CHEM, BERKELEY, CA 94720 USA
SCHAEFER, HF
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(25)
: 7216
-
7219
[2]
SELF-CONSISTENT-FIELD STUDY OF SERIES XEF2, XEF4, XEF6
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
MOSKOWIT.JW
论文数:
0
引用数:
0
h-index:
0
MOSKOWIT.JW
HOLLISTE.C
论文数:
0
引用数:
0
h-index:
0
HOLLISTE.C
HANKIN, D
论文数:
0
引用数:
0
h-index:
0
HANKIN, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(04)
: 1922
-
&
[3]
ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS .2. ATOMS WITH 37 TO 86 ELECTRONS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
RAIMONDI, DL
论文数:
0
引用数:
0
h-index:
0
RAIMONDI, DL
REINHARDT, WP
论文数:
0
引用数:
0
h-index:
0
REINHARDT, WP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
: 1300
-
+
[4]
COHEN I, 1972, J CHEM PHYS, V57, P5075
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(12)
: 5142
-
5151
[6]
DEFEES DJ, UNPUBLISHED
[7]
OCE-CALCAULATIONS WITH MINIMAL STO-SETS ON TIN HYDRIDES OF TYPE SNHN, SNHN+ AND SNHN-(N=3,4OR5)
HARTMANN, H
论文数:
0
引用数:
0
h-index:
0
HARTMANN, H
PAPULA, L
论文数:
0
引用数:
0
h-index:
0
PAPULA, L
STREHL, W
论文数:
0
引用数:
0
h-index:
0
STREHL, W
[J].
THEORETICA CHIMICA ACTA,
1971,
21
(01):
: 69
-
&
[8]
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
-
+
[9]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(05)
: 2769
-
+
[10]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
KAHN, LR
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
BAYBUTT, P
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 3826
-
3853
←
1
2
3
→