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ENERGY GRADIENTS IN EXTENDED HUCKEL THEORY - APPLICATION TO CYCLOPENTANE
被引:9
作者
:
FERGUSON, TR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW MEXICO,ALBUQUERQUE,NM 87106
UNIV NEW MEXICO,ALBUQUERQUE,NM 87106
FERGUSON, TR
[
1
]
BECKEL, CL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW MEXICO,ALBUQUERQUE,NM 87106
UNIV NEW MEXICO,ALBUQUERQUE,NM 87106
BECKEL, CL
[
1
]
机构
:
[1]
UNIV NEW MEXICO,ALBUQUERQUE,NM 87106
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1973年
/ 59卷
/ 04期
关键词
:
D O I
:
10.1063/1.1680275
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:1905 / 1913
页数:9
相关论文
共 17 条
[1]
STRUCTURE, EQUILIBRIUM CONFORMATION, AND PSEUDOROTATION IN CYCLOPENTANE - AN ELECTRON DIFFRACTION STUDY
[J].
ADAMS, WJ
论文数:
0
引用数:
0
h-index:
0
ADAMS, WJ
;
GEISE, HJ
论文数:
0
引用数:
0
h-index:
0
GEISE, HJ
;
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(17)
:5013
-&
[2]
CALCULATION OF STRAIN ENERGY BY MOLECULAR ORBITAL THEORIES
[J].
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
.
TETRAHEDRON,
1970,
26
(09)
:2185
-&
[3]
CNDO CALCULATION OF PSEUDOROTATIONAL POTENTIAL ENERGY OF FLUOROCYCLOPENTANE
[J].
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(01)
:181
-&
[4]
SPECTROSCOPIC DETERMINATION OF BARRIER TO PLANARITY IN CYCLOPENTANE
[J].
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
;
WILLIS, JN
论文数:
0
引用数:
0
h-index:
0
WILLIS, JN
;
JIANG, GJ
论文数:
0
引用数:
0
h-index:
0
JIANG, GJ
;
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
PERSON, WB
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(04)
:1440
-&
[5]
DALLINGA G, 1968, RECL TRAV CHIM PAY-B, V87, P906
[6]
VIBRATIONAL SPECTRA AND STRUCTURE OF SMALL-RING COMPOUNDS .X. SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION IN CYCLOPENTANE
[J].
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
DURIG, JR
;
WERTZ, DW
论文数:
0
引用数:
0
h-index:
0
WERTZ, DW
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
:2118
-&
[7]
RING PUCKERING IN 5-MEMBERED RINGS .1. GENERAL THEORY
[J].
HARRIS, DO
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
HARRIS, DO
;
ENGERHOLM, GG
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
ENGERHOLM, GG
;
TOLMAN, CA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
TOLMAN, CA
;
LUNTZ, AC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
LUNTZ, AC
;
KELLER, RA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
KELLER, RA
;
KIM, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
KIM, H
;
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
GWINN, WD
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
:2438
-+
[8]
AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
[J].
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(06)
:1397
-&
[9]
AB INITIO CALCULATION OF RELATIVE ENERGY OF SOME CONFORMATIONS OF CYCLOPENTANE AND CYCLOHEXANE
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
:2775
-&
[10]
FAR-INFRARED SPECTRA OF RING COMPOUNDS .9. FAR-INFRARED SPECTRUM AND HINDERED PSEUDOROTATION IN CYCLOPENTANONE
[J].
IKEDA, T
论文数:
0
引用数:
0
h-index:
0
IKEDA, T
;
LORD, RC
论文数:
0
引用数:
0
h-index:
0
LORD, RC
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(09)
:4450
-&
←
1
2
→
共 17 条
[1]
STRUCTURE, EQUILIBRIUM CONFORMATION, AND PSEUDOROTATION IN CYCLOPENTANE - AN ELECTRON DIFFRACTION STUDY
[J].
ADAMS, WJ
论文数:
0
引用数:
0
h-index:
0
ADAMS, WJ
;
GEISE, HJ
论文数:
0
引用数:
0
h-index:
0
GEISE, HJ
;
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(17)
:5013
-&
[2]
CALCULATION OF STRAIN ENERGY BY MOLECULAR ORBITAL THEORIES
[J].
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
.
TETRAHEDRON,
1970,
26
(09)
:2185
-&
[3]
CNDO CALCULATION OF PSEUDOROTATIONAL POTENTIAL ENERGY OF FLUOROCYCLOPENTANE
[J].
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(01)
:181
-&
[4]
SPECTROSCOPIC DETERMINATION OF BARRIER TO PLANARITY IN CYCLOPENTANE
[J].
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
;
WILLIS, JN
论文数:
0
引用数:
0
h-index:
0
WILLIS, JN
;
JIANG, GJ
论文数:
0
引用数:
0
h-index:
0
JIANG, GJ
;
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
PERSON, WB
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(04)
:1440
-&
[5]
DALLINGA G, 1968, RECL TRAV CHIM PAY-B, V87, P906
[6]
VIBRATIONAL SPECTRA AND STRUCTURE OF SMALL-RING COMPOUNDS .X. SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION IN CYCLOPENTANE
[J].
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
DURIG, JR
;
WERTZ, DW
论文数:
0
引用数:
0
h-index:
0
WERTZ, DW
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
:2118
-&
[7]
RING PUCKERING IN 5-MEMBERED RINGS .1. GENERAL THEORY
[J].
HARRIS, DO
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
HARRIS, DO
;
ENGERHOLM, GG
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
ENGERHOLM, GG
;
TOLMAN, CA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
TOLMAN, CA
;
LUNTZ, AC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
LUNTZ, AC
;
KELLER, RA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
KELLER, RA
;
KIM, H
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
KIM, H
;
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Santa Barbara
GWINN, WD
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
:2438
-+
[8]
AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
[J].
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(06)
:1397
-&
[9]
AB INITIO CALCULATION OF RELATIVE ENERGY OF SOME CONFORMATIONS OF CYCLOPENTANE AND CYCLOHEXANE
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
:2775
-&
[10]
FAR-INFRARED SPECTRA OF RING COMPOUNDS .9. FAR-INFRARED SPECTRUM AND HINDERED PSEUDOROTATION IN CYCLOPENTANONE
[J].
IKEDA, T
论文数:
0
引用数:
0
h-index:
0
IKEDA, T
;
LORD, RC
论文数:
0
引用数:
0
h-index:
0
LORD, RC
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(09)
:4450
-&
←
1
2
→