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LOCALIZED BONDS IN SCF WAVEFUNCTIONS FOR POLYATOMIC MOLECULES .4. ETHYLENE, BUTADIENE, AND BENZENE
被引:51
作者
:
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
NEWTON, MD
SWITKES, E
论文数:
0
引用数:
0
h-index:
0
SWITKES, E
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1971年
/ 54卷
/ 07期
关键词
:
D O I
:
10.1063/1.1675307
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:3179 / &
相关论文
共 27 条
[1]
CHEMICAL BOND IN MOLECULAR QUANTUM MECHANICS
[J].
ALLEN, TL
论文数:
0
引用数:
0
h-index:
0
ALLEN, TL
;
SHULL, H
论文数:
0
引用数:
0
h-index:
0
SHULL, H
.
JOURNAL OF CHEMICAL PHYSICS,
1961,
35
(05)
:1644
-&
[2]
MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2
[J].
BONACCOR.R
论文数:
0
引用数:
0
h-index:
0
BONACCOR.R
;
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
SCROCCO, E
;
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(10)
:5270
-&
[3]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2
[J].
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
;
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S097
-+
[4]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS
[J].
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
;
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
.
REVIEWS OF MODERN PHYSICS,
1963,
35
(03)
:457
-&
[5]
EDMISTON C, 1966, QUANTUM THEORY ATOMS
[6]
ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS
[J].
ENGLAND, W
论文数:
0
引用数:
0
h-index:
0
ENGLAND, W
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(24)
:6864
-&
[7]
CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE
[J].
FOSTER, JM
论文数:
0
引用数:
0
h-index:
0
FOSTER, JM
;
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:300
-302
[8]
AB INITIO BOND-ORBITAL CALCULATIONS .2. AN IMPROVED PROCEDURE FOR SATURATED HYDROCARBONS
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(01)
:473
-&
[9]
AB INITIO BOND-ORBITAL CALCULATIONS .I. APPLICATION TO METHANE ETHANE PROPANE AND PROPYLENE
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(09)
:2227
-&
[10]
LOCALIZED ORBITALS FOR NH3 C2H4 AND C2H2
[J].
KALDOR, U
论文数:
0
引用数:
0
h-index:
0
KALDOR, U
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(05)
:1981
-&
←
1
2
3
→
共 27 条
[1]
CHEMICAL BOND IN MOLECULAR QUANTUM MECHANICS
[J].
ALLEN, TL
论文数:
0
引用数:
0
h-index:
0
ALLEN, TL
;
SHULL, H
论文数:
0
引用数:
0
h-index:
0
SHULL, H
.
JOURNAL OF CHEMICAL PHYSICS,
1961,
35
(05)
:1644
-&
[2]
MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2
[J].
BONACCOR.R
论文数:
0
引用数:
0
h-index:
0
BONACCOR.R
;
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
SCROCCO, E
;
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(10)
:5270
-&
[3]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS . 2
[J].
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
;
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S097
-+
[4]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS
[J].
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
;
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
.
REVIEWS OF MODERN PHYSICS,
1963,
35
(03)
:457
-&
[5]
EDMISTON C, 1966, QUANTUM THEORY ATOMS
[6]
ON ENERGY LOCALIZATION OF APPROXIMATE MOLECULAR ORBITALS
[J].
ENGLAND, W
论文数:
0
引用数:
0
h-index:
0
ENGLAND, W
;
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(24)
:6864
-&
[7]
CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE
[J].
FOSTER, JM
论文数:
0
引用数:
0
h-index:
0
FOSTER, JM
;
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:300
-302
[8]
AB INITIO BOND-ORBITAL CALCULATIONS .2. AN IMPROVED PROCEDURE FOR SATURATED HYDROCARBONS
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(01)
:473
-&
[9]
AB INITIO BOND-ORBITAL CALCULATIONS .I. APPLICATION TO METHANE ETHANE PROPANE AND PROPYLENE
[J].
HOYLAND, JR
论文数:
0
引用数:
0
h-index:
0
HOYLAND, JR
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(09)
:2227
-&
[10]
LOCALIZED ORBITALS FOR NH3 C2H4 AND C2H2
[J].
KALDOR, U
论文数:
0
引用数:
0
h-index:
0
KALDOR, U
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(05)
:1981
-&
←
1
2
3
→