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NON-ADIABATIC INTERACTIONS IN THE SYMMETRIC RING-OPENING PROCESS OF DIOXIRANE
被引:8
作者
:
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
HA, TK
论文数:
0
引用数:
0
h-index:
0
HA, TK
MEYER, R
论文数:
0
引用数:
0
h-index:
0
MEYER, R
GUNTHARD, HH
论文数:
0
引用数:
0
h-index:
0
GUNTHARD, HH
机构
:
来源
:
CHEMICAL PHYSICS
|
1982年
/ 66卷
/ 1-2期
关键词
:
D O I
:
10.1016/0301-0104(82)88020-8
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:209 / 215
页数:7
相关论文
共 21 条
[1]
DIABATIC REPRESENTATION - COMMENTS
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
PERSICO, M
[J].
MOLECULAR PHYSICS,
1979,
38
(05)
: 1707
-
1710
[2]
THE EVALUATION OF NON-ADIABATIC MATRIX-ELEMENTS - A COMPARISON OF DIFFERENT APPROXIMATIONS APPLIED TO LIH X-A SIGMA+
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
PERSICO, M
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
TOMASI, J
[J].
CHEMICAL PHYSICS,
1980,
53
(03)
: 357
-
363
[3]
NON-ADIABATIC INTERACTIONS IN UNIMOLECULAR DECAY .1.
DESOUTERLECOMTE, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
DESOUTERLECOMTE, M
LECLERC, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
LECLERC, JC
LORQUET, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
LORQUET, JC
[J].
CHEMICAL PHYSICS,
1975,
9
(1-2)
: 147
-
156
[4]
NONADIABATIC INTERACTIONS IN UNIMOLECULAR DECAY .2. SIMPLIFIED FORMALISM
DESOUTERLECOMTE, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
DESOUTERLECOMTE, M
LORQUET, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
LORQUET, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(09)
: 4006
-
4017
[5]
THEORETICAL STUDY OF STABILITY AND MOLECULAR ELECTRONIC-STRUCTURE OF METHYLENE PEROXIDE (CH2O2)
HA, TK
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
HA, TK
KUHNE, H
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
KUHNE, H
VACCANI, S
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
VACCANI, S
GUNTHARD, HH
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
GUNTHARD, HH
[J].
CHEMICAL PHYSICS LETTERS,
1974,
24
(02)
: 172
-
174
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
[7]
HIBERTY PC, 1976, J AM CHEM SOC, V98, P6066
[8]
HIRSCH G, 1980, CHEM PHYS, V45, P355
[9]
ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS
HURON, B
论文数:
0
引用数:
0
h-index:
0
机构:
OBSERV MEUDON, MEUDON 92, FRANCE
OBSERV MEUDON, MEUDON 92, FRANCE
HURON, B
MALRIEU, JP
论文数:
0
引用数:
0
h-index:
0
机构:
OBSERV MEUDON, MEUDON 92, FRANCE
OBSERV MEUDON, MEUDON 92, FRANCE
MALRIEU, JP
RANCUREL, P
论文数:
0
引用数:
0
h-index:
0
机构:
OBSERV MEUDON, MEUDON 92, FRANCE
OBSERV MEUDON, MEUDON 92, FRANCE
RANCUREL, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(12)
: 5745
-
5759
[10]
A MULTICONFIGURATIONAL SCF STUDY OF THE TRANSFORMATION OF METHYLENE PEROXIDE TO DIOXIRANE - INTERMEDIATES IN THE OZONOLYSIS OF ETHYLENE
KARLSTROM, G
论文数:
0
引用数:
0
h-index:
0
KARLSTROM, G
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
ROOS, BO
[J].
CHEMICAL PHYSICS LETTERS,
1981,
79
(03)
: 416
-
420
←
1
2
3
→
共 21 条
[1]
DIABATIC REPRESENTATION - COMMENTS
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
PERSICO, M
[J].
MOLECULAR PHYSICS,
1979,
38
(05)
: 1707
-
1710
[2]
THE EVALUATION OF NON-ADIABATIC MATRIX-ELEMENTS - A COMPARISON OF DIFFERENT APPROXIMATIONS APPLIED TO LIH X-A SIGMA+
CIMIRAGLIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CIMIRAGLIA, R
PERSICO, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
PERSICO, M
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
CNR,CHIM QUANTIST ENERGET MOLEC LAB,I-56100 PISA,ITALY
TOMASI, J
[J].
CHEMICAL PHYSICS,
1980,
53
(03)
: 357
-
363
[3]
NON-ADIABATIC INTERACTIONS IN UNIMOLECULAR DECAY .1.
DESOUTERLECOMTE, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
DESOUTERLECOMTE, M
LECLERC, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
LECLERC, JC
LORQUET, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
UNIV LIEGE,INST CHIM,SART TILMAN,B-4000 LIEGE,BELGIUM
LORQUET, JC
[J].
CHEMICAL PHYSICS,
1975,
9
(1-2)
: 147
-
156
[4]
NONADIABATIC INTERACTIONS IN UNIMOLECULAR DECAY .2. SIMPLIFIED FORMALISM
DESOUTERLECOMTE, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
DESOUTERLECOMTE, M
LORQUET, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
UNIV LIEGE,INST CHIM,B-4000 LIEGE 1,BELGIUM
LORQUET, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(09)
: 4006
-
4017
[5]
THEORETICAL STUDY OF STABILITY AND MOLECULAR ELECTRONIC-STRUCTURE OF METHYLENE PEROXIDE (CH2O2)
HA, TK
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
HA, TK
KUHNE, H
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
KUHNE, H
VACCANI, S
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
VACCANI, S
GUNTHARD, HH
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
GUNTHARD, HH
[J].
CHEMICAL PHYSICS LETTERS,
1974,
24
(02)
: 172
-
174
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
[7]
HIBERTY PC, 1976, J AM CHEM SOC, V98, P6066
[8]
HIRSCH G, 1980, CHEM PHYS, V45, P355
[9]
ITERATIVE PERTURBATION CALCULATIONS OF GROUND AND EXCITED-STATE ENERGIES FROM MULTICONFIGURATIONAL ZEROTH-ORDER WAVEFUNCTIONS
HURON, B
论文数:
0
引用数:
0
h-index:
0
机构:
OBSERV MEUDON, MEUDON 92, FRANCE
OBSERV MEUDON, MEUDON 92, FRANCE
HURON, B
MALRIEU, JP
论文数:
0
引用数:
0
h-index:
0
机构:
OBSERV MEUDON, MEUDON 92, FRANCE
OBSERV MEUDON, MEUDON 92, FRANCE
MALRIEU, JP
RANCUREL, P
论文数:
0
引用数:
0
h-index:
0
机构:
OBSERV MEUDON, MEUDON 92, FRANCE
OBSERV MEUDON, MEUDON 92, FRANCE
RANCUREL, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(12)
: 5745
-
5759
[10]
A MULTICONFIGURATIONAL SCF STUDY OF THE TRANSFORMATION OF METHYLENE PEROXIDE TO DIOXIRANE - INTERMEDIATES IN THE OZONOLYSIS OF ETHYLENE
KARLSTROM, G
论文数:
0
引用数:
0
h-index:
0
KARLSTROM, G
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
ROOS, BO
[J].
CHEMICAL PHYSICS LETTERS,
1981,
79
(03)
: 416
-
420
←
1
2
3
→