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EFFECT OF POLARIZATION FUNCTIONS AND ELECTRON CORRELATION ON THE C4H7+ POTENTIAL-ENERGY SURFACE
被引:36
作者
:
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1986年
/ 90卷
/ 21期
关键词
:
D O I
:
10.1021/j100412a004
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:4908 / 4910
页数:3
相关论文
共 32 条
[1]
REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .1. GROUND-STATES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
BRANDAS, EJ
论文数:
0
引用数:
0
h-index:
0
BRANDAS, EJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(11)
: 5467
-
+
[2]
REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .2. EXCITED-STATES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, DIV THEORETIC CHEM, 8000 AARHUS, DENMARK
BARTLETT, RJ
BRANDAS, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, DIV THEORETIC CHEM, 8000 AARHUS, DENMARK
BRANDAS, EJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(04)
: 2032
-
2042
[3]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
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
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[4]
VARIATION-PERTURBATION EXPANSIONS AND PADE APPROXIMANTS TO ENERGY
BRANDAS, E
论文数:
0
引用数:
0
h-index:
0
BRANDAS, E
GOSCINSKI, O
论文数:
0
引用数:
0
h-index:
0
GOSCINSKI, O
[J].
PHYSICAL REVIEW A-GENERAL PHYSICS,
1970,
1
(03):
: 552
-
+
[5]
C-13,H-1, AND H-2 NMR OBSERVATION OF TRIDEUTERATED CYCLOPROPYLMETHYL-CYCLOBUTYL CARBOCATION - A CONFIGURATIONALLY STABLE SPECIES
BRITTAIN, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
BRITTAIN, WJ
SQUILLACOTE, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
SQUILLACOTE, ME
ROBERTS, JD
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
ROBERTS, JD
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(23)
: 7280
-
7282
[6]
PROOF OF EXISTENCE OF CYCLIC C4H7+ IONS IN THE DILUTE GAS STATE
CACACE, F
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
CACACE, F
SPERANZA, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
SPERANZA, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(06)
: 1587
-
1589
[7]
DESCRIPTION OF HOMOAROMATICITY IN TERMS OF ELECTRON DISTRIBUTIONS
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
CREMER, D
论文数:
引用数:
h-index:
机构:
KRAKA, E
SLEE, TS
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
SLEE, TS
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
BADER, RFW
LAU, CDH
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
LAU, CDH
NGUYENDANG, TT
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
NGUYENDANG, TT
MACDOUGALL, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MACDOUGALL, PJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(15)
: 5069
-
5075
[8]
GROUND-STATES OF MOLECULES .68. THE C4H7+ POTENTIAL SURFACE
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
REYNOLDS, CH
论文数:
0
引用数:
0
h-index:
0
REYNOLDS, CH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(21)
: 6388
-
6392
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
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
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
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
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
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
: 3654
-
3665
[10]
THE ISOMERS OF SILACYCLOPROPANE
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
[J].
CHEMICAL PHYSICS LETTERS,
1980,
76
(01)
: 163
-
168
←
1
2
3
4
→
共 32 条
[1]
REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .1. GROUND-STATES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
BRANDAS, EJ
论文数:
0
引用数:
0
h-index:
0
BRANDAS, EJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(11)
: 5467
-
+
[2]
REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .2. EXCITED-STATES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, DIV THEORETIC CHEM, 8000 AARHUS, DENMARK
BARTLETT, RJ
BRANDAS, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, DIV THEORETIC CHEM, 8000 AARHUS, DENMARK
BRANDAS, EJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(04)
: 2032
-
2042
[3]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
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
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[4]
VARIATION-PERTURBATION EXPANSIONS AND PADE APPROXIMANTS TO ENERGY
BRANDAS, E
论文数:
0
引用数:
0
h-index:
0
BRANDAS, E
GOSCINSKI, O
论文数:
0
引用数:
0
h-index:
0
GOSCINSKI, O
[J].
PHYSICAL REVIEW A-GENERAL PHYSICS,
1970,
1
(03):
: 552
-
+
[5]
C-13,H-1, AND H-2 NMR OBSERVATION OF TRIDEUTERATED CYCLOPROPYLMETHYL-CYCLOBUTYL CARBOCATION - A CONFIGURATIONALLY STABLE SPECIES
BRITTAIN, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
BRITTAIN, WJ
SQUILLACOTE, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
SQUILLACOTE, ME
ROBERTS, JD
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
CALTECH, GATES & CRELLIN LABS CHEM, PASADENA, CA 91125 USA
ROBERTS, JD
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(23)
: 7280
-
7282
[6]
PROOF OF EXISTENCE OF CYCLIC C4H7+ IONS IN THE DILUTE GAS STATE
CACACE, F
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
CACACE, F
SPERANZA, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
CNR,CHIM NUCL LAB,I-00100 ROME,ITALY
SPERANZA, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(06)
: 1587
-
1589
[7]
DESCRIPTION OF HOMOAROMATICITY IN TERMS OF ELECTRON DISTRIBUTIONS
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
CREMER, D
论文数:
引用数:
h-index:
机构:
KRAKA, E
SLEE, TS
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
SLEE, TS
BADER, RFW
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
BADER, RFW
LAU, CDH
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
LAU, CDH
NGUYENDANG, TT
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
NGUYENDANG, TT
MACDOUGALL, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
MACDOUGALL, PJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(15)
: 5069
-
5075
[8]
GROUND-STATES OF MOLECULES .68. THE C4H7+ POTENTIAL SURFACE
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
REYNOLDS, CH
论文数:
0
引用数:
0
h-index:
0
REYNOLDS, CH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(21)
: 6388
-
6392
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS
FRANCL, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
FRANCL, MM
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
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
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
BINKLEY, JS
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
GORDON, MS
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
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE,DEPT CHEM,IRVINE,CA 92717
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(07)
: 3654
-
3665
[10]
THE ISOMERS OF SILACYCLOPROPANE
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
[J].
CHEMICAL PHYSICS LETTERS,
1980,
76
(01)
: 163
-
168
←
1
2
3
4
→