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4-31G ABINITIO AND MNDO SEMIEMPIRICAL CALCULATIONS ON BICYCLIC CN7- AND N8 SPECIES, AND NMR AND IR STUDIES ON N-15-LABELED CN7-
被引:23
作者
:
GORINI, JAC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
GORINI, JAC
FARRAS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
FARRAS, J
FELIZ, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
FELIZ, M
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
OLIVELLA, S
SOLE, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
SOLE, A
VILARRASA, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
VILARRASA, J
机构
:
[1]
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
[2]
UNIV BARCELONA,FAC QUIM,DEPT QUIM FIS,E-08028 BARCELONA,SPAIN
来源
:
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS
|
1986年
/ 12期
关键词
:
D O I
:
10.1039/c39860000959
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:959 / 961
页数:3
相关论文
共 29 条
[1]
AROMATIC SYSTEMS WITH 10 PI ELECTRONS DERIVED FROM AZA-3A PENTALENE .17. ACIDO-TETRAZOLE TAUTOMERY IN PYRAZOLE SERIES
ALCALDE, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC PHARM,DEPT CHIM ORG,BARCELONA,SPAIN
ALCALDE, E
MENDOZA, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC PHARM,DEPT CHIM ORG,BARCELONA,SPAIN
MENDOZA, JD
ELGUERO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC PHARM,DEPT CHIM ORG,BARCELONA,SPAIN
ELGUERO, J
[J].
JOURNAL OF HETEROCYCLIC CHEMISTRY,
1974,
11
(06)
: 921
-
928
[2]
ALCALDE E, 1975, TETRAHEDRON LETT, P1523
[3]
BARTMESS JE, 1984, J ORG CHEM, V49, P1389
[4]
Bowers M. T., 1979, GAS PHASE ION CHEM, V2
[5]
EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
ANDRADE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
ANDRADE, JG
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5609
-
5612
[6]
THERMODYNAMIC STABILITY OF CARBONYL ANIONS, R - C-= - A MOLECULAR-ORBITAL EXAMINATION
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
ANDRADE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
ANDRADE, JG
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5612
-
5614
[7]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
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0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[8]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[10]
MNDO CALCULATIONS OF PROTON AND METHYL-CATION AND ETHYL-CATION AFFINITIES OF NEUTRAL CARBON, NITROGEN, AND OXYGEN BASES
FORD, GP
论文数:
0
引用数:
0
h-index:
0
FORD, GP
SCRIBNER, JD
论文数:
0
引用数:
0
h-index:
0
SCRIBNER, JD
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(04)
: 594
-
604
←
1
2
3
→
共 29 条
[1]
AROMATIC SYSTEMS WITH 10 PI ELECTRONS DERIVED FROM AZA-3A PENTALENE .17. ACIDO-TETRAZOLE TAUTOMERY IN PYRAZOLE SERIES
ALCALDE, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC PHARM,DEPT CHIM ORG,BARCELONA,SPAIN
ALCALDE, E
MENDOZA, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC PHARM,DEPT CHIM ORG,BARCELONA,SPAIN
MENDOZA, JD
ELGUERO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC PHARM,DEPT CHIM ORG,BARCELONA,SPAIN
ELGUERO, J
[J].
JOURNAL OF HETEROCYCLIC CHEMISTRY,
1974,
11
(06)
: 921
-
928
[2]
ALCALDE E, 1975, TETRAHEDRON LETT, P1523
[3]
BARTMESS JE, 1984, J ORG CHEM, V49, P1389
[4]
Bowers M. T., 1979, GAS PHASE ION CHEM, V2
[5]
EFFICIENT AND ACCURATE CALCULATION OF ANION PROTON AFFINITIES
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
ANDRADE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
ANDRADE, JG
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5609
-
5612
[6]
THERMODYNAMIC STABILITY OF CARBONYL ANIONS, R - C-= - A MOLECULAR-ORBITAL EXAMINATION
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
CHANDRASEKHAR, J
ANDRADE, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
ANDRADE, JG
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, D-8520 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(18)
: 5612
-
5614
[7]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[8]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[10]
MNDO CALCULATIONS OF PROTON AND METHYL-CATION AND ETHYL-CATION AFFINITIES OF NEUTRAL CARBON, NITROGEN, AND OXYGEN BASES
FORD, GP
论文数:
0
引用数:
0
h-index:
0
FORD, GP
SCRIBNER, JD
论文数:
0
引用数:
0
h-index:
0
SCRIBNER, JD
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(04)
: 594
-
604
←
1
2
3
→