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THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE
被引:65
作者
:
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
DUNNING, TH
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
WINTER, NW
机构
:
[1]
BATTELLE MEM INST,COLUMBUS,OH 43201
[2]
AEROSP CORP,CHEM & PHYS LAB,EL SEGUNDO,CA 90245
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1975年
/ 63卷
/ 05期
关键词
:
D O I
:
10.1063/1.431561
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:1847 / 1855
页数:9
相关论文
共 35 条
[1]
BENT HA, 1960, J CHEM PHYS, V33, P1259, DOI 10.1063/1.1731374
[2]
CADE PE, TO BE PUBLISHED
[3]
AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - OXYGEN-CONTAINING MOLECULES
CHENEY, BV
论文数:
0
引用数:
0
h-index:
0
CHENEY, BV
CHRISTOF.RE
论文数:
0
引用数:
0
h-index:
0
CHRISTOF.RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(07)
: 3503
-
+
[4]
ROTATIONAL BARRIERS IN HYDROGEN PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 519
-
&
[5]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[6]
HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE
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
[J].
CHEMICAL PHYSICS LETTERS,
1971,
11
(02)
: 194
-
&
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
: 3958
-
&
[8]
ON DETERMINATION OF BARRIERS TO INTERNAL ROTATION
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
: 6268
-
&
[9]
ORIGIN OF ROTATIONAL BARRIERS .2. METHYLAMINE AND IMPROVED WAVEFUNCTIONS FOR HYDROGEN PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
: 2276
-
&
[10]
ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
: 2261
-
&
←
1
2
3
4
→
共 35 条
[1]
BENT HA, 1960, J CHEM PHYS, V33, P1259, DOI 10.1063/1.1731374
[2]
CADE PE, TO BE PUBLISHED
[3]
AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - OXYGEN-CONTAINING MOLECULES
CHENEY, BV
论文数:
0
引用数:
0
h-index:
0
CHENEY, BV
CHRISTOF.RE
论文数:
0
引用数:
0
h-index:
0
CHRISTOF.RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(07)
: 3503
-
+
[4]
ROTATIONAL BARRIERS IN HYDROGEN PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 519
-
&
[5]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[6]
HARTREE-FOCK CALCULATION OF BARRIER TO INTERNAL ROTATION IN HYDROGEN PEROXIDE
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
[J].
CHEMICAL PHYSICS LETTERS,
1971,
11
(02)
: 194
-
&
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
: 3958
-
&
[8]
ON DETERMINATION OF BARRIERS TO INTERNAL ROTATION
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
: 6268
-
&
[9]
ORIGIN OF ROTATIONAL BARRIERS .2. METHYLAMINE AND IMPROVED WAVEFUNCTIONS FOR HYDROGEN PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
: 2276
-
&
[10]
ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
: 2261
-
&
←
1
2
3
4
→