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HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE
被引:64
作者
:
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
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1971年
/ 11卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(71)80356-1
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:194 / &
相关论文
共 13 条
[1]
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
-&
[2]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[3]
ON DETERMINATION OF BARRIERS TO INTERNAL ROTATION
[J].
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
;
HARRIS, DO
论文数:
0
引用数:
0
h-index:
0
HARRIS, DO
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
:6268
-&
[4]
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
-&
[5]
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
-&
[6]
WATER MOLECULE INTERACTIONS
[J].
HANKINS, D
论文数:
0
引用数:
0
h-index:
0
HANKINS, D
;
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
MOSKOWITZ, JW
;
STILLINGER, FH
论文数:
0
引用数:
0
h-index:
0
STILLINGER, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4544
-+
[7]
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
-&
[8]
MILLER IH, 1971, T FARADAY SOC, V66, P2665
[9]
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
-&
[10]
CALCULATION OF BARRIER TO INTERNAL ROTATION IN ETHANE
[J].
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
;
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
LIPSCOMB, WN
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(08)
:1995
-&
←
1
2
→
共 13 条
[1]
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
-&
[2]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
:2823
-+
[3]
ON DETERMINATION OF BARRIERS TO INTERNAL ROTATION
[J].
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
;
HARRIS, DO
论文数:
0
引用数:
0
h-index:
0
HARRIS, DO
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
:6268
-&
[4]
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
-&
[5]
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
-&
[6]
WATER MOLECULE INTERACTIONS
[J].
HANKINS, D
论文数:
0
引用数:
0
h-index:
0
HANKINS, D
;
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
MOSKOWITZ, JW
;
STILLINGER, FH
论文数:
0
引用数:
0
h-index:
0
STILLINGER, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4544
-+
[7]
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
-&
[8]
MILLER IH, 1971, T FARADAY SOC, V66, P2665
[9]
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
-&
[10]
CALCULATION OF BARRIER TO INTERNAL ROTATION IN ETHANE
[J].
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
;
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
LIPSCOMB, WN
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(08)
:1995
-&
←
1
2
→