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MOLECULAR-ORBITAL STUDY OF THE BENZENE OXIDE-OXEPIN VALENCE ISOMERIZATION
被引:62
作者
:
HAYES, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
HAYES, DM
NELSON, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
NELSON, SD
GARLAND, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
GARLAND, WA
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
KOLLMAN, PA
机构
:
[1]
UNIV CALIF SAN FRANCISCO, SCH PHARM, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
[2]
UNIV WASHINGTON, DEPT PHARMACEUT CHEM, SEATTLE, WA 98195 USA
[3]
UNION UNIV UNION COLL, DEPT CHEM, SCHENECTADY, NY 12308 USA
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1980年
/ 102卷
/ 04期
关键词
:
D O I
:
10.1021/ja00524a007
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1255 / 1362
页数:108
相关论文
共 17 条
[1]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
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)
: 1294
-
1301
[2]
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
[3]
THE MICROWAVE SPECTRA, STRUCTURE, AND DIPOLE MOMENTS OF ETHYLENE OXIDE AND ETHYLENE SULFIDE
BOYD, AW
论文数:
0
引用数:
0
h-index:
0
BOYD, AW
MYERS, RJ
论文数:
0
引用数:
0
h-index:
0
MYERS, RJ
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
GWINN, WD
LEVAN, WI
论文数:
0
引用数:
0
h-index:
0
LEVAN, WI
[J].
JOURNAL OF CHEMICAL PHYSICS,
1951,
19
(06)
: 676
-
685
[4]
DERMER OC, 1969, ETHYLENEIMINE OTHER
[5]
DEWAR MJS, 1975, QCPE, V10, P279
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[7]
FELKER P, THEOR CHIM ACTA
[8]
AB-INITIO MOLECULAR-ORBITAL THEORY
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE, DEPT CHEM, IRVINE, CA 92717 USA
UNIV CALIF IRVINE, DEPT CHEM, IRVINE, CA 92717 USA
HEHRE, WJ
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1976,
9
(11)
: 399
-
406
[9]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(08)
: 2191
-
+
[10]
HEHRE WJ, 1973, QCPE, V10, P236
←
1
2
→
共 17 条
[1]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
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)
: 1294
-
1301
[2]
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
[3]
THE MICROWAVE SPECTRA, STRUCTURE, AND DIPOLE MOMENTS OF ETHYLENE OXIDE AND ETHYLENE SULFIDE
BOYD, AW
论文数:
0
引用数:
0
h-index:
0
BOYD, AW
MYERS, RJ
论文数:
0
引用数:
0
h-index:
0
MYERS, RJ
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
GWINN, WD
LEVAN, WI
论文数:
0
引用数:
0
h-index:
0
LEVAN, WI
[J].
JOURNAL OF CHEMICAL PHYSICS,
1951,
19
(06)
: 676
-
685
[4]
DERMER OC, 1969, ETHYLENEIMINE OTHER
[5]
DEWAR MJS, 1975, QCPE, V10, P279
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[7]
FELKER P, THEOR CHIM ACTA
[8]
AB-INITIO MOLECULAR-ORBITAL THEORY
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF IRVINE, DEPT CHEM, IRVINE, CA 92717 USA
UNIV CALIF IRVINE, DEPT CHEM, IRVINE, CA 92717 USA
HEHRE, WJ
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1976,
9
(11)
: 399
-
406
[9]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(08)
: 2191
-
+
[10]
HEHRE WJ, 1973, QCPE, V10, P236
←
1
2
→