ABSENCE OF AN ENERGETICALLY VIABLE PATHWAY FOR TRIPLET 1,2 HYDROGEN SHIFTS - A THEORETICAL-STUDY OF VINYLIDENE-ACETYLENE ISOMERIZATION

被引：73

作者：

CONRAD, MP ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 25期

关键词：

D O I：

10.1021/ja00493a006

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：7820 / 7823

页数：4

共 30 条

[1] AB-INITIO STUDY OF METHYLCARBENE AND STEREOCHEMISTRY OF ITS REARRANGEMENT TO ETHYLENE
ALTMANN, JA
CSIZMADI.IG
YATES, K
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (13) : 4196 - 4201
[2] STEREOCHEMISTRY OF CARBENE REARRANGEMENTS - CORRELATION OF ABINITIO MOLECULAR-ORBITALS AS AN AID TO INVESTIGATION OF ELECTRON REDISTRIBUTION MECHANISM
ALTMANN, JA
CSIZMADIA, IG
YATES, K
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (18) : 5217 - 5222
[3] EXTENDED BASIS SET STUDIES OF HYDROCARBON MOLECULAR-ORBITAL ENERGIES
BINKLEY, JS
POPLE, JA
HEHRE, WJ
[J]. CHEMICAL PHYSICS LETTERS, 1975, 36 (01) : 1 - 5
[4] GROUND-STATES OF MOLECULES .20. MINDO/2 STUDY OF SOME CARBENES AND THEIR INTRAMOLECULAR REARRANGEMENTS
BODOR, N
DEWAR, MJS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) : 9103 - 9106
[5] ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
BUNGE, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) : 20 - &
[6] SIZE CONSISTENCY IN DILUTE HELIUM GAS ELECTRONIC-STRUCTURE
DAVIDSON, ER
SILVER, DW
[J]. CHEMICAL PHYSICS LETTERS, 1977, 52 (03) : 403 - 406
[7] THEORETICAL STUDIES OF LOW-LYING STATES OF VINYLIDENE
DAVIS, JH
GODDARD, WA
HARDING, LB
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (09) : 2919 - 2925
[8] SHAPES OF SOME EXCITED-STATES OF ACETYLENE
DEMOULIN, D
[J]. CHEMICAL PHYSICS, 1975, 11 (02) : 329 - 341
[9] MINDO-3 STUDY OF ADDITION OF SINGLET OXYGEN DELTA-G-1O-2 TO 1,3-BUTADIENE
DEWAR, MJS
THIEL, W
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (07) : 2338 - 2339
[10] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +

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