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EFFECT OF POLARIZATION FUNCTIONS AND ELECTRON CORRELATION ON THE C4H7+ POTENTIAL-ENERGY SURFACE
被引:36
作者
:
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1986年
/ 90卷
/ 21期
关键词
:
D O I
:
10.1021/j100412a004
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:4908 / 4910
页数:3
相关论文
共 32 条
[21]
Pople J. A., 1979, International Journal of Quantum Chemistry, P225
[22]
COMPREHENSIVE THEORETICAL-STUDY OF ISOMERS AND REARRANGEMENT BARRIERS OF EVEN-ELECTRON POLYATOMIC-MOLECULES HMABHN (A, B = C, N, O, AND F)
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
POPLE, JA
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
RAGHAVACHARI, K
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
FRISCH, MJ
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
BINKLEY, JS
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(21)
: 6389
-
6398
[23]
POPLE JA, 1976, INT J QUANTUM CHEM, P1
[24]
PRAKASH GK, 1985, J AM CHEM SOC, V107, P3390
[25]
MOLECULAR-ORBITAL THEORY OF THE ELECTRONIC-STRUCTURE OF ORGANIC-MOLECULES .40. STRUCTURES AND ENERGIES OF C-1-C-3 CARBOCATIONS, INCLUDING EFFECTS OF ELECTRON CORRELATION
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
RAGHAVACHARI, K
WHITESIDE, RA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
WHITESIDE, RA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(19)
: 5649
-
5657
[26]
DEUTERIUM-ISOTOPE EFFECTS ON THE CYCLOBUTYL-CYCLOPROPYLCARBINYL CATION
SAUNDERS, M
论文数:
0
引用数:
0
h-index:
0
SAUNDERS, M
SIEHL, HU
论文数:
0
引用数:
0
h-index:
0
SIEHL, HU
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(22)
: 6868
-
6869
[27]
NORTRICYCLYLCARBINYL CARBOCATIONS - STRUCTURAL HYBRIDS OF CYCLOPROPYLCARBINYL AND BRIDGED 2-NORBORNYL CARBOCATIONS
SCHMITZ, LR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SCHMITZ, LR
SORENSEN, TS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SORENSEN, TS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(09)
: 2600
-
2604
[28]
METHYL-SUBSTITUTED CYCLOPROPYLCARBINYL (ALIAS VINYL-BRIDGED ETHYLENE) CARBOCATIONS - MOLECULAR-ORBITAL CALCULATIONS AND CRITERIA FOR STRUCTURE REPRESENTATION-NOMENCLATURE DECISIONS
SCHMITZ, LR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SCHMITZ, LR
SORENSEN, TS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SORENSEN, TS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(09)
: 2605
-
2612
[29]
PHOTOELECTRON-SPECTROSCOPY OF ISOMERIC C4H7 RADICALS - IMPLICATIONS FOR THE THERMOCHEMISTRY AND STRUCTURES OF THE RADICALS AND THEIR CORRESPONDING CARBONIUM-IONS
SCHULTZ, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
SCHULTZ, JC
HOULE, FA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
HOULE, FA
BEAUCHAMP, JL
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
BEAUCHAMP, JL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(24)
: 7336
-
7347
[30]
STRUCTURE OF THE C4H6CH3+ CATION - C-13 AND H-1-NMR SPECTROSCOPIC INVESTIGATION OF EQUILIBRIUM ISOTOPE EFFECTS IN DEUTERATED METHYLBICYCLOBUTONIUM IONS
SIEHL, HU
论文数:
0
引用数:
0
h-index:
0
SIEHL, HU
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(11)
: 3390
-
3392
←
1
2
3
4
→
共 32 条
[21]
Pople J. A., 1979, International Journal of Quantum Chemistry, P225
[22]
COMPREHENSIVE THEORETICAL-STUDY OF ISOMERS AND REARRANGEMENT BARRIERS OF EVEN-ELECTRON POLYATOMIC-MOLECULES HMABHN (A, B = C, N, O, AND F)
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
POPLE, JA
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
RAGHAVACHARI, K
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
FRISCH, MJ
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
BINKLEY, JS
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(21)
: 6389
-
6398
[23]
POPLE JA, 1976, INT J QUANTUM CHEM, P1
[24]
PRAKASH GK, 1985, J AM CHEM SOC, V107, P3390
[25]
MOLECULAR-ORBITAL THEORY OF THE ELECTRONIC-STRUCTURE OF ORGANIC-MOLECULES .40. STRUCTURES AND ENERGIES OF C-1-C-3 CARBOCATIONS, INCLUDING EFFECTS OF ELECTRON CORRELATION
RAGHAVACHARI, K
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
RAGHAVACHARI, K
WHITESIDE, RA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
WHITESIDE, RA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(19)
: 5649
-
5657
[26]
DEUTERIUM-ISOTOPE EFFECTS ON THE CYCLOBUTYL-CYCLOPROPYLCARBINYL CATION
SAUNDERS, M
论文数:
0
引用数:
0
h-index:
0
SAUNDERS, M
SIEHL, HU
论文数:
0
引用数:
0
h-index:
0
SIEHL, HU
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(22)
: 6868
-
6869
[27]
NORTRICYCLYLCARBINYL CARBOCATIONS - STRUCTURAL HYBRIDS OF CYCLOPROPYLCARBINYL AND BRIDGED 2-NORBORNYL CARBOCATIONS
SCHMITZ, LR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SCHMITZ, LR
SORENSEN, TS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SORENSEN, TS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(09)
: 2600
-
2604
[28]
METHYL-SUBSTITUTED CYCLOPROPYLCARBINYL (ALIAS VINYL-BRIDGED ETHYLENE) CARBOCATIONS - MOLECULAR-ORBITAL CALCULATIONS AND CRITERIA FOR STRUCTURE REPRESENTATION-NOMENCLATURE DECISIONS
SCHMITZ, LR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SCHMITZ, LR
SORENSEN, TS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
UNIV CALGARY,DEPT CHEM,CALGARY T2N 1N4,ALBERTA,CANADA
SORENSEN, TS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(09)
: 2605
-
2612
[29]
PHOTOELECTRON-SPECTROSCOPY OF ISOMERIC C4H7 RADICALS - IMPLICATIONS FOR THE THERMOCHEMISTRY AND STRUCTURES OF THE RADICALS AND THEIR CORRESPONDING CARBONIUM-IONS
SCHULTZ, JC
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
SCHULTZ, JC
HOULE, FA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
HOULE, FA
BEAUCHAMP, JL
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
BEAUCHAMP, JL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(24)
: 7336
-
7347
[30]
STRUCTURE OF THE C4H6CH3+ CATION - C-13 AND H-1-NMR SPECTROSCOPIC INVESTIGATION OF EQUILIBRIUM ISOTOPE EFFECTS IN DEUTERATED METHYLBICYCLOBUTONIUM IONS
SIEHL, HU
论文数:
0
引用数:
0
h-index:
0
SIEHL, HU
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(11)
: 3390
-
3392
←
1
2
3
4
→