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THERMODYNAMICAL PROPERTIES AND STRUCTURAL DATA OF RADICALS CALCULATED BY MNDO-UHF
被引:109
作者
:
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
BISCHOF, P
FRIEDRICH, G
论文数:
0
引用数:
0
h-index:
0
FRIEDRICH, G
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1982年
/ 3卷
/ 04期
关键词
:
D O I
:
10.1002/jcc.540030406
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:486 / 494
页数:9
相关论文
共 30 条
[1]
THE PI AND SIGMA-N ELECTRONIC STATES OF THE SUCCINIMIDYL RADICAL - CAN NITROGEN-CENTERED RADICALS HAVE SIGMA-N GROUND-STATES - AN ABINITO STUDY
APELOIG, Y
论文数:
0
引用数:
0
h-index:
0
APELOIG, Y
SCHREIBER, R
论文数:
0
引用数:
0
h-index:
0
SCHREIBER, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(19)
: 6144
-
6146
[2]
THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+
ARCHIBAL.TW
论文数:
0
引用数:
0
h-index:
0
ARCHIBAL.TW
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
SABIN, JR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(04)
: 1821
-
&
[3]
REGIO-SELECTIVITY AND STEREO-SELECTIVITY IN RADICAL REACTIONS
BECKWITH, ALJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ADELAIDE, DEPT ORGAN CHEM, ADELAIDE, SA 5000, AUSTRALIA
UNIV ADELAIDE, DEPT ORGAN CHEM, ADELAIDE, SA 5000, AUSTRALIA
BECKWITH, ALJ
[J].
TETRAHEDRON,
1981,
37
(18)
: 3073
-
3100
[4]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[5]
UNRESTRICTED OPEN-SHELL CALCULATIONS BY MINDO-3 - GEOMETRIES AND ELECTRONIC-STRUCTURE OF RADICALS
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
机构:
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
BISCHOF, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6844
-
6849
[6]
FORBIDDEN RADICAL REARRANGEMENTS - COMPARISON WITH POTENTIAL SURFACES OF JAHN-TELLER RADICALS
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
机构:
TH DARMSTADT,INST ORGAN CHEM,D-6100 DARMSTADT,FED REP GER
TH DARMSTADT,INST ORGAN CHEM,D-6100 DARMSTADT,FED REP GER
BISCHOF, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
: 8145
-
8149
[7]
BISCHOF P, 1979, QCPE, V11, P383
[8]
BISCHOF P, 1980, COMPUTATIONAL METHOD
[9]
THE POTENTIAL SURFACE FOR THE CYCLOBUTADIENE RADICAL CATION
BORDEN, WT
论文数:
0
引用数:
0
h-index:
0
BORDEN, WT
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
FELLER, D
论文数:
0
引用数:
0
h-index:
0
FELLER, D
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(19)
: 5725
-
5729
[10]
CHEMICAL GENERATION OF EXCITED-STATE RADICALS - SUCCINIMIDOYL
CLARK, T
论文数:
0
引用数:
0
h-index:
0
机构:
Institui fur Organische Chemie, Friedrich-Alexander-Universitat Erlangen-Niirnberg
CLARK, T
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(26)
: 7746
-
7747
←
1
2
3
→
共 30 条
[1]
THE PI AND SIGMA-N ELECTRONIC STATES OF THE SUCCINIMIDYL RADICAL - CAN NITROGEN-CENTERED RADICALS HAVE SIGMA-N GROUND-STATES - AN ABINITO STUDY
APELOIG, Y
论文数:
0
引用数:
0
h-index:
0
APELOIG, Y
SCHREIBER, R
论文数:
0
引用数:
0
h-index:
0
SCHREIBER, R
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(19)
: 6144
-
6146
[2]
THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+
ARCHIBAL.TW
论文数:
0
引用数:
0
h-index:
0
ARCHIBAL.TW
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
SABIN, JR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(04)
: 1821
-
&
[3]
REGIO-SELECTIVITY AND STEREO-SELECTIVITY IN RADICAL REACTIONS
BECKWITH, ALJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ADELAIDE, DEPT ORGAN CHEM, ADELAIDE, SA 5000, AUSTRALIA
UNIV ADELAIDE, DEPT ORGAN CHEM, ADELAIDE, SA 5000, AUSTRALIA
BECKWITH, ALJ
[J].
TETRAHEDRON,
1981,
37
(18)
: 3073
-
3100
[4]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[5]
UNRESTRICTED OPEN-SHELL CALCULATIONS BY MINDO-3 - GEOMETRIES AND ELECTRONIC-STRUCTURE OF RADICALS
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
机构:
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
TH DARMSTADT,INST ORG CHEM,D-6100 DARMSTADT,FED REP GER
BISCHOF, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6844
-
6849
[6]
FORBIDDEN RADICAL REARRANGEMENTS - COMPARISON WITH POTENTIAL SURFACES OF JAHN-TELLER RADICALS
BISCHOF, P
论文数:
0
引用数:
0
h-index:
0
机构:
TH DARMSTADT,INST ORGAN CHEM,D-6100 DARMSTADT,FED REP GER
TH DARMSTADT,INST ORGAN CHEM,D-6100 DARMSTADT,FED REP GER
BISCHOF, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
: 8145
-
8149
[7]
BISCHOF P, 1979, QCPE, V11, P383
[8]
BISCHOF P, 1980, COMPUTATIONAL METHOD
[9]
THE POTENTIAL SURFACE FOR THE CYCLOBUTADIENE RADICAL CATION
BORDEN, WT
论文数:
0
引用数:
0
h-index:
0
BORDEN, WT
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
FELLER, D
论文数:
0
引用数:
0
h-index:
0
FELLER, D
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(19)
: 5725
-
5729
[10]
CHEMICAL GENERATION OF EXCITED-STATE RADICALS - SUCCINIMIDOYL
CLARK, T
论文数:
0
引用数:
0
h-index:
0
机构:
Institui fur Organische Chemie, Friedrich-Alexander-Universitat Erlangen-Niirnberg
CLARK, T
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(26)
: 7746
-
7747
←
1
2
3
→