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TORSION VIBRATION INTERACTIONS IN HYDROGEN-PEROXIDE .2. NATURAL BOND ORBITAL ANALYSIS
被引:43
作者
:
CARPENTER, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET PHYS,MADISON,WI 53706
CARPENTER, JE
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET PHYS,MADISON,WI 53706
WEINHOLD, F
机构
:
[1]
UNIV WISCONSIN,INST THEORET PHYS,MADISON,WI 53706
[2]
UNIV WISCONSIN,DEPT CHEM,MADISON,WI 53706
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1988年
/ 92卷
/ 15期
关键词
:
D O I
:
10.1021/j100326a013
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:4306 / 4313
页数:8
相关论文
共 18 条
[1]
AN APPRAISAL OF VALENCE-BOND STRUCTURES AND HYBRIDIZATION IN COMPOUNDS OF THE 1ST-ROW ELEMENTS
BENT, HA
论文数:
0
引用数:
0
h-index:
0
BENT, HA
[J].
CHEMICAL REVIEWS,
1961,
61
(03)
: 275
-
311
[2]
QUANTUM-MECHANICAL STUDIES ON THE ORIGIN OF BARRIERS TO INTERNAL-ROTATION ABOUT SINGLE BONDS
BRUNCK, TK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
BRUNCK, TK
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
WEINHOLD, F
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(07)
: 1700
-
1709
[3]
TORSION VIBRATION INTERACTIONS IN HYDROGEN-PEROXIDE .1. CALCULATION OF THE TRANS-BARRIER FOR OH OVERTONE EXCITATIONS UP TO V = 8
CARPENTER, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN, INST THEORET PHYS, MADISON, WI 53706 USA
CARPENTER, JE
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN, INST THEORET PHYS, MADISON, WI 53706 USA
WEINHOLD, F
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1988,
92
(15)
: 4295
-
4306
[4]
CARPENTER JE, IN PRESS J MOL STRUC
[5]
THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrstuhl für Theoretische Chemie, Universität Köln
CREMER, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(10)
: 4440
-
4445
[6]
DUBAL HR, 1985, J CHEM PHYS, V83, P3863, DOI 10.1063/1.449097
[7]
THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 1847
-
1855
[8]
NATURAL HYBRID ORBITALS
FOSTER, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
FOSTER, JP
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
WEINHOLD, F
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(24)
: 7211
-
7218
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
: 3265
-
3269
[10]
INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(06)
: 1931
-
&
←
1
2
→
共 18 条
[1]
AN APPRAISAL OF VALENCE-BOND STRUCTURES AND HYBRIDIZATION IN COMPOUNDS OF THE 1ST-ROW ELEMENTS
BENT, HA
论文数:
0
引用数:
0
h-index:
0
BENT, HA
[J].
CHEMICAL REVIEWS,
1961,
61
(03)
: 275
-
311
[2]
QUANTUM-MECHANICAL STUDIES ON THE ORIGIN OF BARRIERS TO INTERNAL-ROTATION ABOUT SINGLE BONDS
BRUNCK, TK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
BRUNCK, TK
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
WEINHOLD, F
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(07)
: 1700
-
1709
[3]
TORSION VIBRATION INTERACTIONS IN HYDROGEN-PEROXIDE .1. CALCULATION OF THE TRANS-BARRIER FOR OH OVERTONE EXCITATIONS UP TO V = 8
CARPENTER, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN, INST THEORET PHYS, MADISON, WI 53706 USA
CARPENTER, JE
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN, INST THEORET PHYS, MADISON, WI 53706 USA
WEINHOLD, F
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1988,
92
(15)
: 4295
-
4306
[4]
CARPENTER JE, IN PRESS J MOL STRUC
[5]
THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrstuhl für Theoretische Chemie, Universität Köln
CREMER, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(10)
: 4440
-
4445
[6]
DUBAL HR, 1985, J CHEM PHYS, V83, P3863, DOI 10.1063/1.449097
[7]
THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 1847
-
1855
[8]
NATURAL HYBRID ORBITALS
FOSTER, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
FOSTER, JP
WEINHOLD, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706
WEINHOLD, F
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(24)
: 7211
-
7218
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
POPLE, JA
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
BINKLEY, JS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(07)
: 3265
-
3269
[10]
INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(06)
: 1931
-
&
←
1
2
→