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ABINITIO STUDY ON THE ISOPROPYL RADICAL
被引:34
作者
:
PACANSKY, J
论文数:
0
引用数:
0
h-index:
0
PACANSKY, J
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
DUPUIS, M
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1980年
/ 73卷
/ 04期
关键词
:
D O I
:
10.1063/1.440322
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:1867 / 1872
页数:6
相关论文
共 21 条
[1]
[Anonymous], MOL VIBRATIONS THEOR
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[3]
MOLECULAR SYMMETRY .2. GRADIENT OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES
[J].
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
;
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(09)
:3998
-4004
[4]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
[J].
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
;
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
;
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
:111
-116
[5]
ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS
[J].
FESSENDEN, RW
论文数:
0
引用数:
0
h-index:
0
FESSENDEN, RW
;
SCHULER, RH
论文数:
0
引用数:
0
h-index:
0
SCHULER, RH
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(09)
:2147
-&
[6]
TILT AND ASYMMETRY OF METHYL-GROUPS IN ASYMMETRIC ENVIRONMENTS
[J].
FLOOD, E
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
FLOOD, E
;
PULAY, P
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
PULAY, P
;
BOGGS, JE
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
BOGGS, JE
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
:5570
-5574
[7]
1ST IONIZATION-POTENTIAL OF ETHYL RADICAL BY PHOTOELECTRON-SPECTROSCOPY
[J].
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
.
CHEMICAL PHYSICS LETTERS,
1977,
48
(03)
:457
-460
[8]
HELIUM(I) PHOTOELECTRON-SPECTRA OF ORGANIC RADICALS
[J].
KOENIG, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
KOENIG, T
;
BALLE, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
BALLE, T
;
SNELL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
SNELL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(03)
:662
-663
[9]
EFFICIENT DETERMINATION AND CHARACTERIZATION OF TRANSITION-STATES USING ABINITIO METHODS
[J].
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
;
ISHIDA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
ISHIDA, K
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
;
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
DITCHFIELD, R
;
CONRAD, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
CONRAD, M
.
CHEMICAL PHYSICS LETTERS,
1977,
45
(03)
:595
-602
[10]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
[J].
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
:6377
-+
←
1
2
3
→
共 21 条
[1]
[Anonymous], MOL VIBRATIONS THEOR
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[3]
MOLECULAR SYMMETRY .2. GRADIENT OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES
[J].
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
;
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(09)
:3998
-4004
[4]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
[J].
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
;
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
;
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
:111
-116
[5]
ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS
[J].
FESSENDEN, RW
论文数:
0
引用数:
0
h-index:
0
FESSENDEN, RW
;
SCHULER, RH
论文数:
0
引用数:
0
h-index:
0
SCHULER, RH
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(09)
:2147
-&
[6]
TILT AND ASYMMETRY OF METHYL-GROUPS IN ASYMMETRIC ENVIRONMENTS
[J].
FLOOD, E
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
FLOOD, E
;
PULAY, P
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
PULAY, P
;
BOGGS, JE
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
BOGGS, JE
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(17)
:5570
-5574
[7]
1ST IONIZATION-POTENTIAL OF ETHYL RADICAL BY PHOTOELECTRON-SPECTROSCOPY
[J].
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
.
CHEMICAL PHYSICS LETTERS,
1977,
48
(03)
:457
-460
[8]
HELIUM(I) PHOTOELECTRON-SPECTRA OF ORGANIC RADICALS
[J].
KOENIG, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
KOENIG, T
;
BALLE, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
BALLE, T
;
SNELL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
UNIV OREGON,DEPT CHEM,EUGENE,OR 97403
SNELL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(03)
:662
-663
[9]
EFFICIENT DETERMINATION AND CHARACTERIZATION OF TRANSITION-STATES USING ABINITIO METHODS
[J].
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
;
ISHIDA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
ISHIDA, K
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
;
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
DITCHFIELD, R
;
CONRAD, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
CONRAD, M
.
CHEMICAL PHYSICS LETTERS,
1977,
45
(03)
:595
-602
[10]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS
[J].
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
CURTISS, LA
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(24)
:6377
-+
←
1
2
3
→