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THE STRUCTURE OF THE VINYL CATION
被引:40
作者
:
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1987年
/ 137卷
/ 01期
关键词
:
D O I
:
10.1016/0009-2614(87)80294-4
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:10 / 12
页数:3
相关论文
共 9 条
[1]
MOLECULAR-ORBITAL PREDICTIONS OF THE VIBRATIONAL FREQUENCIES OF SOME MOLECULAR-IONS
[J].
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
DEFREES, DJ
;
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
MCLEAN, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(01)
:333
-341
[2]
A SYSTEMATIC STUDY OF THE EFFECT OF TRIPLE SUBSTITUTIONS ON THE ELECTRON CORRELATION-ENERGY OF SMALL MOLECULES
[J].
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
;
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
CHEMICAL PHYSICS LETTERS,
1980,
75
(01)
:66
-68
[3]
MOLECULAR-ORBITAL THEORY OF SIMPLE CARBONIUM-IONS
[J].
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
;
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
CHEMICAL PHYSICS LETTERS,
1972,
14
(04)
:385
-+
[4]
NONEMPIRICAL LCAO MO SCF CALCULATION ON ACETYLENE, VINYLIDENE CARBENNE, AND VINYL CATION
[J].
HOPKINSO.AC
论文数:
0
引用数:
0
h-index:
0
HOPKINSO.AC
;
YATES, K
论文数:
0
引用数:
0
h-index:
0
YATES, K
;
CSIZMADI.IG
论文数:
0
引用数:
0
h-index:
0
CSIZMADI.IG
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
:3835
-&
[5]
KRISHNAN R, 1981, J AM CHEM SOC, V103, P5649
[6]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
[J].
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
:6377
-+
[7]
THE CLASSICAL AND NONCLASSICAL FORMS OF PROTONATED ACETYLENE, C2H3+ - STRUCTURES, VIBRATIONAL FREQUENCIES, AND INFRARED INTENSITIES FROM EXPLICITLY CORRELATED WAVE-FUNCTIONS
[J].
LEE, TJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
LEE, TJ
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(06)
:3437
-3443
[8]
CI STUDY OF CLASSICAL AND NONCLASSICAL STRUCTURES OF VINYL CATION AND THEIR OPTIMUM PATH FOR REARRANGEMENT
[J].
WEBER, J
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES INST,SAN JOSE,CA 95193
IBM CORP,RES INST,SAN JOSE,CA 95193
WEBER, J
;
YOSHIMINE, M
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES INST,SAN JOSE,CA 95193
IBM CORP,RES INST,SAN JOSE,CA 95193
YOSHIMINE, M
;
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES INST,SAN JOSE,CA 95193
IBM CORP,RES INST,SAN JOSE,CA 95193
MCLEAN, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(10)
:4159
-4164
[9]
HAVE IONS C2H3+ AND C2H5+ CLASSICAL OR NON-CLASSICAL STRUCTURE
[J].
ZURAWSKI, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
ZURAWSKI, B
;
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
AHLRICHS, R
;
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
KUTZELNIGG, W
.
CHEMICAL PHYSICS LETTERS,
1973,
21
(02)
:309
-313
←
1
→
共 9 条
[1]
MOLECULAR-ORBITAL PREDICTIONS OF THE VIBRATIONAL FREQUENCIES OF SOME MOLECULAR-IONS
[J].
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
DEFREES, DJ
;
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
IBM CORP, RES LABS, SAN JOSE, CA 95193 USA
MCLEAN, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(01)
:333
-341
[2]
A SYSTEMATIC STUDY OF THE EFFECT OF TRIPLE SUBSTITUTIONS ON THE ELECTRON CORRELATION-ENERGY OF SMALL MOLECULES
[J].
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
;
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
CHEMICAL PHYSICS LETTERS,
1980,
75
(01)
:66
-68
[3]
MOLECULAR-ORBITAL THEORY OF SIMPLE CARBONIUM-IONS
[J].
HARIHARAN, PC
论文数:
0
引用数:
0
h-index:
0
HARIHARAN, PC
;
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
CHEMICAL PHYSICS LETTERS,
1972,
14
(04)
:385
-+
[4]
NONEMPIRICAL LCAO MO SCF CALCULATION ON ACETYLENE, VINYLIDENE CARBENNE, AND VINYL CATION
[J].
HOPKINSO.AC
论文数:
0
引用数:
0
h-index:
0
HOPKINSO.AC
;
YATES, K
论文数:
0
引用数:
0
h-index:
0
YATES, K
;
CSIZMADI.IG
论文数:
0
引用数:
0
h-index:
0
CSIZMADI.IG
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
:3835
-&
[5]
KRISHNAN R, 1981, J AM CHEM SOC, V103, P5649
[6]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
[J].
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
:6377
-+
[7]
THE CLASSICAL AND NONCLASSICAL FORMS OF PROTONATED ACETYLENE, C2H3+ - STRUCTURES, VIBRATIONAL FREQUENCIES, AND INFRARED INTENSITIES FROM EXPLICITLY CORRELATED WAVE-FUNCTIONS
[J].
LEE, TJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
LEE, TJ
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
SCHAEFER, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
85
(06)
:3437
-3443
[8]
CI STUDY OF CLASSICAL AND NONCLASSICAL STRUCTURES OF VINYL CATION AND THEIR OPTIMUM PATH FOR REARRANGEMENT
[J].
WEBER, J
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES INST,SAN JOSE,CA 95193
IBM CORP,RES INST,SAN JOSE,CA 95193
WEBER, J
;
YOSHIMINE, M
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES INST,SAN JOSE,CA 95193
IBM CORP,RES INST,SAN JOSE,CA 95193
YOSHIMINE, M
;
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES INST,SAN JOSE,CA 95193
IBM CORP,RES INST,SAN JOSE,CA 95193
MCLEAN, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(10)
:4159
-4164
[9]
HAVE IONS C2H3+ AND C2H5+ CLASSICAL OR NON-CLASSICAL STRUCTURE
[J].
ZURAWSKI, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
ZURAWSKI, B
;
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
AHLRICHS, R
;
KUTZELNIGG, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
UNIV KARLSRUHE, INST PHYS CHEM & ELEKTROCHEM, ABT THEORET CHEM, 75 KARLSRUHE, WEST GERMANY
KUTZELNIGG, W
.
CHEMICAL PHYSICS LETTERS,
1973,
21
(02)
:309
-313
←
1
→