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ABINITIO STUDIES OF STRUCTURAL FEATURES NOT EASILY AMENABLE TO EXPERIMENT .5. CONFORMATIONAL-ANALYSIS OF KETO-ACETONE AND ENOL-ACETONE
被引:53
作者
:
BOWERS, P
论文数:
0
引用数:
0
h-index:
0
BOWERS, P
SCHAFER, L
论文数:
0
引用数:
0
h-index:
0
SCHAFER, L
机构
:
来源
:
JOURNAL OF MOLECULAR STRUCTURE
|
1980年
/ 69卷
/ DEC期
关键词
:
D O I
:
10.1016/0022-2860(80)85280-X
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:233 / 240
页数:8
相关论文
共 28 条
[1]
MOLECULAR-ORBITAL CONSTRAINED ELECTRON-DIFFRACTION STUDIES - CONFORMATIONAL BEHAVIOR OF 1,2-DIMETHYLHYDRAZINE
[J].
CHIU, NS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
CHIU, NS
;
SELLERS, HL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SELLERS, HL
;
SCHAFER, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SCHAFER, L
;
KOHATA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
KOHATA, K
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(20)
:5883
-5889
[2]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .21. ROTATIONAL POTENTIALS FOR GEMINAL METHYL-GROUPS
[J].
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
CREMER, D
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
BINKLEY, JS
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
POPLE, JA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
HEHRE, WJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(22)
:6900
-6903
[3]
SUPERJACENT ORBITAL CONTROL - INTERPRETATION OF ANOMERIC EFFECT
[J].
DAVID, S
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
DAVID, S
;
EISENSTEIN, O
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
EISENSTEIN, O
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
HEHRE, WJ
;
SALEM, L
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
SALEM, L
;
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
HOFFMANN, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(11)
:3806
-3807
[4]
DELBENE JE, 1975, THEOR CHIM ACTA, V36, P195, DOI 10.1007/BF00572559
[5]
LONE PAIRS IN ORGANIC-MOLECULES - ENERGETIC AND ORIENTATIONAL NON-EQUIVALENCE - STEREOCHEMICAL CONSEQUENCES
[J].
EISENSTEIN, O
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
EISENSTEIN, O
;
ANH, NT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
ANH, NT
;
JEAN, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
JEAN, Y
;
DEVAQUET, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
DEVAQUET, A
;
CANTACUZEN, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
CANTACUZEN, J
;
SALEM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
SALEM, L
.
TETRAHEDRON,
1974,
30
(13)
:1717
-1723
[6]
OVERLAP REPULSION AS AN IMPORTANT CONTRIBUTOR TO AROMATICITY
[J].
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
EPIOTIS, ND
;
YATES, RL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
YATES, RL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(02)
:461
-469
[7]
TILT AND ASYMMETRY OF METHYL-GROUPS IN ASYMMETRIC ENVIRONMENTS
[J].
FLOOD, E
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
FLOOD, E
;
PULAY, P
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
PULAY, P
;
BOGGS, JE
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
BOGGS, JE
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
:5570
-5574
[8]
CHARACTERIZATION OF MOLECULAR ASSOCIATION IN ACETONE VAPOR - THERMAL-CONDUCTIVITY MEASUREMENTS AND MOLECULAR-ORBITAL CALCULATIONS
[J].
FRURIP, DJ
论文数:
0
引用数:
0
h-index:
0
FRURIP, DJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
BLANDER, M
论文数:
0
引用数:
0
h-index:
0
BLANDER, M
.
JOURNAL OF PHYSICAL CHEMISTRY,
1978,
82
(24)
:2555
-2561
[9]
CONFORMATION OF VINYLIC METHYL GROUPS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
HEHRE, WJ
;
SALEM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
SALEM, L
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1973,
(19)
:754
-755
[10]
AN ELECTRON DIFFRACTION INVESTIGATION OF HEXAFLUOROACETONE, HEXAFLUOROPROPYLIMINE, AND HEXAFLUOROISOBUTENE
[J].
HILDERBR.RL
论文数:
0
引用数:
0
h-index:
0
HILDERBR.RL
;
ANDREASS.AL
论文数:
0
引用数:
0
h-index:
0
ANDREASS.AL
;
BAUER, SH
论文数:
0
引用数:
0
h-index:
0
BAUER, SH
.
JOURNAL OF PHYSICAL CHEMISTRY,
1970,
74
(07)
:1586
-&
←
1
2
3
→
共 28 条
[1]
MOLECULAR-ORBITAL CONSTRAINED ELECTRON-DIFFRACTION STUDIES - CONFORMATIONAL BEHAVIOR OF 1,2-DIMETHYLHYDRAZINE
[J].
CHIU, NS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
CHIU, NS
;
SELLERS, HL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SELLERS, HL
;
SCHAFER, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
SCHAFER, L
;
KOHATA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
KOHATA, K
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(20)
:5883
-5889
[2]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .21. ROTATIONAL POTENTIALS FOR GEMINAL METHYL-GROUPS
[J].
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
CREMER, D
;
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
BINKLEY, JS
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
POPLE, JA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92650
HEHRE, WJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(22)
:6900
-6903
[3]
SUPERJACENT ORBITAL CONTROL - INTERPRETATION OF ANOMERIC EFFECT
[J].
DAVID, S
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
DAVID, S
;
EISENSTEIN, O
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
EISENSTEIN, O
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
HEHRE, WJ
;
SALEM, L
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
SALEM, L
;
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV, DEPT CHEM, ITHACA, NY 14850 USA
HOFFMANN, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(11)
:3806
-3807
[4]
DELBENE JE, 1975, THEOR CHIM ACTA, V36, P195, DOI 10.1007/BF00572559
[5]
LONE PAIRS IN ORGANIC-MOLECULES - ENERGETIC AND ORIENTATIONAL NON-EQUIVALENCE - STEREOCHEMICAL CONSEQUENCES
[J].
EISENSTEIN, O
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
EISENSTEIN, O
;
ANH, NT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
ANH, NT
;
JEAN, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
JEAN, Y
;
DEVAQUET, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
DEVAQUET, A
;
CANTACUZEN, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
CANTACUZEN, J
;
SALEM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
UNIV PARIS SUD, CNRS, LAB CHIM THEORIQUE, 91405 ORSAY, FRANCE
SALEM, L
.
TETRAHEDRON,
1974,
30
(13)
:1717
-1723
[6]
OVERLAP REPULSION AS AN IMPORTANT CONTRIBUTOR TO AROMATICITY
[J].
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
EPIOTIS, ND
;
YATES, RL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
YATES, RL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(02)
:461
-469
[7]
TILT AND ASYMMETRY OF METHYL-GROUPS IN ASYMMETRIC ENVIRONMENTS
[J].
FLOOD, E
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
FLOOD, E
;
PULAY, P
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
PULAY, P
;
BOGGS, JE
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
BOGGS, JE
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
:5570
-5574
[8]
CHARACTERIZATION OF MOLECULAR ASSOCIATION IN ACETONE VAPOR - THERMAL-CONDUCTIVITY MEASUREMENTS AND MOLECULAR-ORBITAL CALCULATIONS
[J].
FRURIP, DJ
论文数:
0
引用数:
0
h-index:
0
FRURIP, DJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
BLANDER, M
论文数:
0
引用数:
0
h-index:
0
BLANDER, M
.
JOURNAL OF PHYSICAL CHEMISTRY,
1978,
82
(24)
:2555
-2561
[9]
CONFORMATION OF VINYLIC METHYL GROUPS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
HEHRE, WJ
;
SALEM, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,IRVINE,CA 92664
SALEM, L
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1973,
(19)
:754
-755
[10]
AN ELECTRON DIFFRACTION INVESTIGATION OF HEXAFLUOROACETONE, HEXAFLUOROPROPYLIMINE, AND HEXAFLUOROISOBUTENE
[J].
HILDERBR.RL
论文数:
0
引用数:
0
h-index:
0
HILDERBR.RL
;
ANDREASS.AL
论文数:
0
引用数:
0
h-index:
0
ANDREASS.AL
;
BAUER, SH
论文数:
0
引用数:
0
h-index:
0
BAUER, SH
.
JOURNAL OF PHYSICAL CHEMISTRY,
1970,
74
(07)
:1586
-&
←
1
2
3
→