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GROUND-STATES OF MOLECULES .53. MNDO CALCULATIONS FOR MOLECULES CONTAINING CHLORINE
被引:115
作者
:
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1983年
/ 4卷
/ 02期
关键词
:
D O I
:
10.1002/jcc.540040207
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:158 / 169
页数:12
相关论文
共 27 条
[1]
[Anonymous], 1966, ADV INORGANIC CHEM C
[2]
STRUCTURE AND ENERGETICS OF SIMPLE CARBENES CH2, CHF, CHCL, CHBR, CF2, AND CCL2
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
BAUSCHLICHER, CW
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
;
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
BAGUS, PS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(22)
:7106
-7110
[3]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[4]
PREDICTION OF LARGE CORRECTIONS TO KOOPMANS THEOREM AND ABINITIO VERTICAL IONIZATION-POTENTIALS OF HOCL, FOCL AND CL2O
[J].
CHONG, DP
论文数:
0
引用数:
0
h-index:
0
CHONG, DP
;
HERRING, FG
论文数:
0
引用数:
0
h-index:
0
HERRING, FG
;
TAKAHATA, Y
论文数:
0
引用数:
0
h-index:
0
TAKAHATA, Y
.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA,
1978,
13
(01)
:39
-47
[5]
NUCLEAR QUADRUPOLE COUPLING CONSTANTS AND IONIC CHARACTER OF COVALENT BONDS
[J].
CONSIDINE, WJ
论文数:
0
引用数:
0
h-index:
0
CONSIDINE, WJ
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(10)
:4036
-+
[6]
MNDO STUDY OF OZONE AND ITS DECOMPOSITION INTO (O2+O)
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
OLIVELLA, S
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
RZEPA, HS
.
CHEMICAL PHYSICS LETTERS,
1977,
47
(01)
:80
-84
[7]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4907
-4917
[8]
GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
MCKEE, ML
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(16)
:5231
-5241
[9]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4899
-4907
[10]
GROUND-STATES OF MOLECULES .40. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(01)
:58
-67
←
1
2
3
→
共 27 条
[1]
[Anonymous], 1966, ADV INORGANIC CHEM C
[2]
STRUCTURE AND ENERGETICS OF SIMPLE CARBENES CH2, CHF, CHCL, CHBR, CF2, AND CCL2
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
BAUSCHLICHER, CW
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
;
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DEPT CHEM,BERKELEY,CA 94720
BAGUS, PS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(22)
:7106
-7110
[3]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
;
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[4]
PREDICTION OF LARGE CORRECTIONS TO KOOPMANS THEOREM AND ABINITIO VERTICAL IONIZATION-POTENTIALS OF HOCL, FOCL AND CL2O
[J].
CHONG, DP
论文数:
0
引用数:
0
h-index:
0
CHONG, DP
;
HERRING, FG
论文数:
0
引用数:
0
h-index:
0
HERRING, FG
;
TAKAHATA, Y
论文数:
0
引用数:
0
h-index:
0
TAKAHATA, Y
.
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA,
1978,
13
(01)
:39
-47
[5]
NUCLEAR QUADRUPOLE COUPLING CONSTANTS AND IONIC CHARACTER OF COVALENT BONDS
[J].
CONSIDINE, WJ
论文数:
0
引用数:
0
h-index:
0
CONSIDINE, WJ
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(10)
:4036
-+
[6]
MNDO STUDY OF OZONE AND ITS DECOMPOSITION INTO (O2+O)
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
OLIVELLA, S
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
RZEPA, HS
.
CHEMICAL PHYSICS LETTERS,
1977,
47
(01)
:80
-84
[7]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4907
-4917
[8]
GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
MCKEE, ML
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(16)
:5231
-5241
[9]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4899
-4907
[10]
GROUND-STATES OF MOLECULES .40. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(01)
:58
-67
←
1
2
3
→