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CONFORMATIONAL PREDICTION FOR MOLECULES CONTAINING VICINAL LONE PAIRS - BASIS SET STUDIES FOR H2O2
被引:13
作者
:
BURTON, PG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
BURTON, PG
[
1
]
MARKEY, BR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
MARKEY, BR
[
1
]
机构
:
[1]
UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA
来源
:
AUSTRALIAN JOURNAL OF CHEMISTRY
|
1977年
/ 30卷
/ 02期
关键词
:
D O I
:
10.1071/CH9770231
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:231 / 236
页数:6
相关论文
共 17 条
[1]
CARLSEN NR, COMMUNICATION
[2]
ROTATIONAL BARRIERS IN HYDROGEN PEROXIDE
[J].
DAVIDSON, RB
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0
引用数:
0
h-index:
0
DAVIDSON, RB
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:519
-&
[3]
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
-+
[4]
HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
;
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
WINTER, NW
.
CHEMICAL PHYSICS LETTERS,
1971,
11
(02)
:194
-&
[5]
ORIGIN OF ROTATIONAL BARRIERS .2. METHYLAMINE AND IMPROVED WAVEFUNCTIONS FOR HYDROGEN PEROXIDE
[J].
FINK, WH
论文数:
0
引用数:
0
h-index:
0
FINK, WH
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
:2276
-&
[6]
ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE
[J].
FINK, WH
论文数:
0
引用数:
0
h-index:
0
FINK, WH
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
:2261
-&
[7]
HEHRE WJ, 1969, GAUSSIAN 70 PROGRAM
[8]
INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL
[J].
HUNT, RH
论文数:
0
引用数:
0
h-index:
0
HUNT, RH
;
LEACOCK, RA
论文数:
0
引用数:
0
h-index:
0
LEACOCK, RA
;
PETERS, CW
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PETERS, CW
;
HECHT, KT
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引用数:
0
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HECHT, KT
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(06)
:1931
-&
[9]
EFFECT OF BOND FUNCTION POLARIZATION ON LCAO-MO-SCF - CALCULATION OF BOND ANGLES AND ENERGY BARRIERS
[J].
JARVIE, JO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
JARVIE, JO
;
RAUK, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
RAUK, A
;
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
EDMISTON, C
.
CANADIAN JOURNAL OF CHEMISTRY,
1974,
52
(15)
:2778
-2784
[10]
ON INTERNAL ROTATION POTENTIAL IN H2O2
[J].
PALKE, WE
论文数:
0
引用数:
0
h-index:
0
PALKE, WE
;
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(10)
:3948
-&
←
1
2
→
共 17 条
[1]
CARLSEN NR, COMMUNICATION
[2]
ROTATIONAL BARRIERS IN HYDROGEN PEROXIDE
[J].
DAVIDSON, RB
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, RB
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:519
-&
[3]
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
-+
[4]
HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
;
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
WINTER, NW
.
CHEMICAL PHYSICS LETTERS,
1971,
11
(02)
:194
-&
[5]
ORIGIN OF ROTATIONAL BARRIERS .2. METHYLAMINE AND IMPROVED WAVEFUNCTIONS FOR HYDROGEN PEROXIDE
[J].
FINK, WH
论文数:
0
引用数:
0
h-index:
0
FINK, WH
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
:2276
-&
[6]
ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE
[J].
FINK, WH
论文数:
0
引用数:
0
h-index:
0
FINK, WH
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
:2261
-&
[7]
HEHRE WJ, 1969, GAUSSIAN 70 PROGRAM
[8]
INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL
[J].
HUNT, RH
论文数:
0
引用数:
0
h-index:
0
HUNT, RH
;
LEACOCK, RA
论文数:
0
引用数:
0
h-index:
0
LEACOCK, RA
;
PETERS, CW
论文数:
0
引用数:
0
h-index:
0
PETERS, CW
;
HECHT, KT
论文数:
0
引用数:
0
h-index:
0
HECHT, KT
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(06)
:1931
-&
[9]
EFFECT OF BOND FUNCTION POLARIZATION ON LCAO-MO-SCF - CALCULATION OF BOND ANGLES AND ENERGY BARRIERS
[J].
JARVIE, JO
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
JARVIE, JO
;
RAUK, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
RAUK, A
;
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
EDMISTON, C
.
CANADIAN JOURNAL OF CHEMISTRY,
1974,
52
(15)
:2778
-2784
[10]
ON INTERNAL ROTATION POTENTIAL IN H2O2
[J].
PALKE, WE
论文数:
0
引用数:
0
h-index:
0
PALKE, WE
;
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(10)
:3948
-&
←
1
2
→