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APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .1. EQUILIBRIUM STRUCTURE AND FORCE CONSTANTS OF HYDROCARBONS
被引:120
作者
:
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
[
1
]
SLINGERLAND, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
SLINGERLAND, PJ
[
1
]
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
[
1
]
机构
:
[1]
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
来源
:
MOLECULAR PHYSICS
|
1976年
/ 31卷
/ 05期
关键词
:
D O I
:
10.1080/00268977600101071
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:1359 / 1376
页数:18
相关论文
共 46 条
[1]
ALTONA C, 1974, FORTSCHR CHEM FORSCH, V45, P1
[2]
ELECTRON DIFFRACTION STUDY OF STRUCTURES OF ETHANE AND DEUTEROETHANE
[J].
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
;
HIGGINBOTHAM, HK
论文数:
0
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0
h-index:
0
HIGGINBOTHAM, HK
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(03)
:851
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[3]
MEAN AND EQUILIBRIUM MOLECULAR STRUCTURES OF METHANE AND DEUTEROMETHANE AS DETERMINED BY ELECTRON DIFFRACTION
[J].
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
;
KUCHITSU, K
论文数:
0
引用数:
0
h-index:
0
KUCHITSU, K
;
DENEUI, RJ
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0
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0
DENEUI, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1961,
35
(04)
:1211
-&
[4]
ELECTRON-DIFFRACTION STUDY OF STRUCTURES OF C2H4 AND C2D4
[J].
BARTELL, LS
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0
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0
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0
BARTELL, LS
;
ROTH, EA
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0
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0
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0
ROTH, EA
;
HOLLOWEL.CD
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0
引用数:
0
h-index:
0
HOLLOWEL.CD
;
KUCHITSU, K
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0
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0
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0
KUCHITSU, K
;
YOUNG, JE
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0
YOUNG, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(08)
:2683
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[5]
LEAST-SQUARES REFINEMENT OF MOLECULAR STRUCTURES FROM GASEOUS ELECTRON-DIFFRACTION SECTOR MICROPHOTOMETER DATA .3. REFINEMENT OF CYCLOPROPANE
[J].
BASTIANSEN, O
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0
引用数:
0
h-index:
0
BASTIANSEN, O
;
FRITSCH, FN
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0
引用数:
0
h-index:
0
FRITSCH, FN
;
HEDBERG, K
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0
引用数:
0
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0
HEDBERG, K
.
ACTA CRYSTALLOGRAPHICA,
1964,
17
(05)
:538
-&
[6]
SOME FREQUENCY SHIFTS BY C-13 SUBSTITUTION IN IR SPECTRA OF C2H4, C2D4 AND C2H6 - THEIR USE FOR FORCE CONSTANT CALCULATION
[J].
BECHER, HJ
论文数:
0
引用数:
0
h-index:
0
BECHER, HJ
;
ADRIAN, A
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0
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0
h-index:
0
ADRIAN, A
.
JOURNAL OF MOLECULAR STRUCTURE,
1970,
6
(06)
:479
-&
[7]
MOLECULAR STRUCTURE OF CYCLOPROPENE AS DETERMINED BY ELECTRON DIFFRACTION
[J].
CHIANG, JF
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0
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0
h-index:
0
CHIANG, JF
.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY,
1970,
17
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:65
-&
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[9]
GROUND STATE ROTATIONAL CONSTANTS OF H2CCD2 AND C2D4 AND GEOMETRY OF ETHYLENE
[J].
DUNCAN, JL
论文数:
0
引用数:
0
h-index:
0
DUNCAN, JL
;
VANLERBE.D
论文数:
0
引用数:
0
h-index:
0
VANLERBE.D
;
WRIGHT, IJ
论文数:
0
引用数:
0
h-index:
0
WRIGHT, IJ
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1972,
42
(03)
:463
-&
[10]
INFRARED CRYSTAL SPECTRA OF C2H4, C2D4, AND AS-C2H2D2 AND GENERAL HARMONIC FORCE FIELD OF ETHYLENE
[J].
DUNCAN, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
DUNCAN, JL
;
MCKEAN, DC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
MCKEAN, DC
;
MALLINSON, PD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
MALLINSON, PD
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
45
(02)
:221
-246
←
1
2
3
4
5
→
共 46 条
[1]
ALTONA C, 1974, FORTSCHR CHEM FORSCH, V45, P1
[2]
ELECTRON DIFFRACTION STUDY OF STRUCTURES OF ETHANE AND DEUTEROETHANE
[J].
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
;
HIGGINBOTHAM, HK
论文数:
0
引用数:
0
h-index:
0
HIGGINBOTHAM, HK
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(03)
:851
-+
[3]
MEAN AND EQUILIBRIUM MOLECULAR STRUCTURES OF METHANE AND DEUTEROMETHANE AS DETERMINED BY ELECTRON DIFFRACTION
[J].
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
;
KUCHITSU, K
论文数:
0
引用数:
0
h-index:
0
KUCHITSU, K
;
DENEUI, RJ
论文数:
0
引用数:
0
h-index:
0
DENEUI, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1961,
35
(04)
:1211
-&
[4]
ELECTRON-DIFFRACTION STUDY OF STRUCTURES OF C2H4 AND C2D4
[J].
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
BARTELL, LS
;
ROTH, EA
论文数:
0
引用数:
0
h-index:
0
ROTH, EA
;
HOLLOWEL.CD
论文数:
0
引用数:
0
h-index:
0
HOLLOWEL.CD
;
KUCHITSU, K
论文数:
0
引用数:
0
h-index:
0
KUCHITSU, K
;
YOUNG, JE
论文数:
0
引用数:
0
h-index:
0
YOUNG, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(08)
:2683
-&
[5]
LEAST-SQUARES REFINEMENT OF MOLECULAR STRUCTURES FROM GASEOUS ELECTRON-DIFFRACTION SECTOR MICROPHOTOMETER DATA .3. REFINEMENT OF CYCLOPROPANE
[J].
BASTIANSEN, O
论文数:
0
引用数:
0
h-index:
0
BASTIANSEN, O
;
FRITSCH, FN
论文数:
0
引用数:
0
h-index:
0
FRITSCH, FN
;
HEDBERG, K
论文数:
0
引用数:
0
h-index:
0
HEDBERG, K
.
ACTA CRYSTALLOGRAPHICA,
1964,
17
(05)
:538
-&
[6]
SOME FREQUENCY SHIFTS BY C-13 SUBSTITUTION IN IR SPECTRA OF C2H4, C2D4 AND C2H6 - THEIR USE FOR FORCE CONSTANT CALCULATION
[J].
BECHER, HJ
论文数:
0
引用数:
0
h-index:
0
BECHER, HJ
;
ADRIAN, A
论文数:
0
引用数:
0
h-index:
0
ADRIAN, A
.
JOURNAL OF MOLECULAR STRUCTURE,
1970,
6
(06)
:479
-&
[7]
MOLECULAR STRUCTURE OF CYCLOPROPENE AS DETERMINED BY ELECTRON DIFFRACTION
[J].
CHIANG, JF
论文数:
0
引用数:
0
h-index:
0
CHIANG, JF
.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY,
1970,
17
(02)
:65
-&
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[9]
GROUND STATE ROTATIONAL CONSTANTS OF H2CCD2 AND C2D4 AND GEOMETRY OF ETHYLENE
[J].
DUNCAN, JL
论文数:
0
引用数:
0
h-index:
0
DUNCAN, JL
;
VANLERBE.D
论文数:
0
引用数:
0
h-index:
0
VANLERBE.D
;
WRIGHT, IJ
论文数:
0
引用数:
0
h-index:
0
WRIGHT, IJ
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1972,
42
(03)
:463
-&
[10]
INFRARED CRYSTAL SPECTRA OF C2H4, C2D4, AND AS-C2H2D2 AND GENERAL HARMONIC FORCE FIELD OF ETHYLENE
[J].
DUNCAN, JL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
DUNCAN, JL
;
MCKEAN, DC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
MCKEAN, DC
;
MALLINSON, PD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
UNIV ABERDEEN, DEPT CHEM, ABERDEEN AB9 2UE, SCOTLAND
MALLINSON, PD
.
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
45
(02)
:221
-246
←
1
2
3
4
5
→