AN ABINITIO STUDY OF THE INSERTION REACTION SIH2(1A1) + H-2-]SIH4

被引:44
作者
SAX, A
OLBRICH, G
机构
[1] MAX PLANCK INST STRAHLENCHEM,D-4330 MULHEIM,FED REP GER
[2] GRAZ UNIV,INST THEORET CHEM,A-8010 GRAZ,AUSTRIA
关键词
D O I
10.1021/ja00303a010
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4868 / 4874
页数:7
相关论文
共 41 条
[1]  
ANWARI F, 1983, ISR J CHEM, V23, P129
[2]   REACTION PATHWAYS FOR TRIPLET METHYLENE ABSTRACTION CH2 (B-3(1)) + H2-] CH3 + H [J].
BASKIN, CP ;
BENDER, CF ;
BAUSCHLI.CW ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (09) :2709-2713
[3]   LEAST-MOTION INSERTION REACTION CH-2A-1(1) + H-2-] CH-4 - THEORETICAL-STUDY OF A PROCESS FORBIDDEN BY ORBITAL SYMMETRY [J].
BAUSCHLICHER, CW ;
SCHAEFER, HF ;
BENDER, CF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (07) :1653-1658
[4]   CONCERTED NON-LEAST-MOTION PATHWAY FOR SINGLET METHYLENE INSERTION REACTION CH2(1A1)+H2-]CH4 [J].
BAUSCHLICHER, CW ;
HABER, K ;
SCHAEFER, HF ;
BENDER, CF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (11) :3610-3614
[5]   TRANSITION-STATES FOR ABSTRACTION REACTIONS OF TRIPLET METHYLENE WITH HYDROGEN AND METHANE [J].
BAUSCHLICHER, CW ;
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) :3072-3074
[6]   THE ROLE OF THE TRIPLET-STATE IN INSERTION REACTIONS OF SILYLENES [J].
BELL, TN ;
PERKINS, KA ;
PERKINS, PG .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1980, (22) :1046-1047
[7]   APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
BUTSCHER, W .
MOLECULAR PHYSICS, 1978, 35 (03) :771-791
[8]  
BURBER H, 1974, TOP CURRENT CHEM, V50, P1
[10]   THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].
DURAND, P ;
BARTHELAT, JC .
THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302