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ELECTRONIC-STRUCTURES OF BIRADICALS IN UNRESTRICTED HARTREE-FOCK APPROXIMATION
被引:390
作者
:
YAMAGUCHI, K
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA UNIV,FAC ENGN SCI,DEPT CHEM,TOYONAKA,OSAKA,JAPAN
OSAKA UNIV,FAC ENGN SCI,DEPT CHEM,TOYONAKA,OSAKA,JAPAN
YAMAGUCHI, K
[
1
]
机构
:
[1]
OSAKA UNIV,FAC ENGN SCI,DEPT CHEM,TOYONAKA,OSAKA,JAPAN
来源
:
CHEMICAL PHYSICS LETTERS
|
1975年
/ 33卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(75)80169-2
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:330 / 335
页数:6
相关论文
共 14 条
[1]
SINGLE DETERMINANT WAVE FUNCTIONS
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
HALL, GG
论文数:
0
引用数:
0
h-index:
0
HALL, GG
[J].
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1961,
263
(1312)
: 483
-
+
[2]
FUKUTOME H, 1972, PROG THEOR PHYS, V47, P1116
[3]
ON STABILIZING A SINGLET METHYLENE
GLEITER, R
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Cornell University, Ithaca
GLEITER, R
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Cornell University, Ithaca
HOFFMANN, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(20)
: 5457
-
&
[4]
ELECTRONIC STRUCTURE OF OPEN FORMS OF 3-MEMBERED RINGS
HAYES, EF
论文数:
0
引用数:
0
h-index:
0
HAYES, EF
SIU, AKQ
论文数:
0
引用数:
0
h-index:
0
SIU, AKQ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(08)
: 2090
-
&
[5]
COMMENTS ON USE OF UNRESTRICTED HARTREE-FOCK THEORY IN ORBITAL ENERGY CROSSING
JORDAN, KD
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
JORDAN, KD
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
SILBEY, R
[J].
CHEMICAL PHYSICS LETTERS,
1973,
18
(01)
: 27
-
30
[6]
UNRESTRICTED HARTREE-FOCK SOLUTIONS FOR CLOSED-SHELL MOLECULES
KOUTECKY, J
论文数:
0
引用数:
0
h-index:
0
KOUTECKY, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
: 2443
-
&
[7]
MITCHELL AD, 1958, TABLE INTERATOMIC DI
[8]
PROJECTED STATES OF OPEN SHELL MOLECULES - PI-ELECTRON STATES OF CYCLOPENTADIENYL CATION
PHILLIPS, DH
论文数:
0
引用数:
0
h-index:
0
PHILLIPS, DH
SCHUG, JC
论文数:
0
引用数:
0
h-index:
0
SCHUG, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(08)
: 3498
-
&
[9]
APPROXIMATE SPIN PROJECTION OF 3-COMPONENT UHF WAVEFUNCTIONS - STATES OF PENTACHLOROCYCLOPENTADIENYL CATION AND CROCONATE DIANION, C5O52-
PHILLIPS, DH
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,LANGLEY RES CTR,HAMPTON,VA 23665
PHILLIPS, DH
SCHUG, JC
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,LANGLEY RES CTR,HAMPTON,VA 23665
SCHUG, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(04)
: 1597
-
1602
[10]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
BEVERIDGE, DL
DOBOSH, PA
论文数:
0
引用数:
0
h-index:
0
DOBOSH, PA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 2026
-
+
←
1
2
→
共 14 条
[1]
SINGLE DETERMINANT WAVE FUNCTIONS
AMOS, AT
论文数:
0
引用数:
0
h-index:
0
AMOS, AT
HALL, GG
论文数:
0
引用数:
0
h-index:
0
HALL, GG
[J].
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1961,
263
(1312)
: 483
-
+
[2]
FUKUTOME H, 1972, PROG THEOR PHYS, V47, P1116
[3]
ON STABILIZING A SINGLET METHYLENE
GLEITER, R
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Cornell University, Ithaca
GLEITER, R
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Cornell University, Ithaca
HOFFMANN, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(20)
: 5457
-
&
[4]
ELECTRONIC STRUCTURE OF OPEN FORMS OF 3-MEMBERED RINGS
HAYES, EF
论文数:
0
引用数:
0
h-index:
0
HAYES, EF
SIU, AKQ
论文数:
0
引用数:
0
h-index:
0
SIU, AKQ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(08)
: 2090
-
&
[5]
COMMENTS ON USE OF UNRESTRICTED HARTREE-FOCK THEORY IN ORBITAL ENERGY CROSSING
JORDAN, KD
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
JORDAN, KD
SILBEY, R
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
MIT,DEPT CHEM,CAMBRIDGE,MA 02139
SILBEY, R
[J].
CHEMICAL PHYSICS LETTERS,
1973,
18
(01)
: 27
-
30
[6]
UNRESTRICTED HARTREE-FOCK SOLUTIONS FOR CLOSED-SHELL MOLECULES
KOUTECKY, J
论文数:
0
引用数:
0
h-index:
0
KOUTECKY, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(06)
: 2443
-
&
[7]
MITCHELL AD, 1958, TABLE INTERATOMIC DI
[8]
PROJECTED STATES OF OPEN SHELL MOLECULES - PI-ELECTRON STATES OF CYCLOPENTADIENYL CATION
PHILLIPS, DH
论文数:
0
引用数:
0
h-index:
0
PHILLIPS, DH
SCHUG, JC
论文数:
0
引用数:
0
h-index:
0
SCHUG, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(08)
: 3498
-
&
[9]
APPROXIMATE SPIN PROJECTION OF 3-COMPONENT UHF WAVEFUNCTIONS - STATES OF PENTACHLOROCYCLOPENTADIENYL CATION AND CROCONATE DIANION, C5O52-
PHILLIPS, DH
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,LANGLEY RES CTR,HAMPTON,VA 23665
PHILLIPS, DH
SCHUG, JC
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,LANGLEY RES CTR,HAMPTON,VA 23665
SCHUG, JC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(04)
: 1597
-
1602
[10]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
BEVERIDGE, DL
DOBOSH, PA
论文数:
0
引用数:
0
h-index:
0
DOBOSH, PA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 2026
-
+
←
1
2
→