ABINITIO STUDY OF THE TRANSITION STRUCTURE OF THE [1,5]-SIGMATROPIC HYDROGEN TRANSFER IN CIS-1,3-PENTADIENE

被引:37
作者
HESS, BA
SCHAAD, LJ
机构
关键词
D O I
10.1021/ja00362a035
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:7185 / 7186
页数:2
相关论文
共 10 条
[1]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[2]  
BINKLEY JS, QUANTUM CHEM PROGRAM
[3]  
JOHNSON CK, 1976, ORNL5138 REP
[4]   ROLE OF SOLVENT IN THE MECHANISM OF AMINE OXIDE THERMOLYSIS ELUCIDATED BY THE TEMPERATURE-DEPENDENCE OF A KINETIC ISOTOPE EFFECT [J].
KWART, H ;
BRECHBIEL, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (15) :4650-4652
[5]   OBSERVATIONS ON THE GEOMETRY OF HYDROGEN TRANSFER IN [1,5]SIGMATROPIC REARRANGEMENTS [J].
KWART, H ;
BRECHBIEL, MW ;
ACHESON, RM ;
WARD, DC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (17) :4671-4672
[6]  
POPLE JA, 1977, MODERN THEORETICAL C, V4, P1
[7]   STEREOCHEMISTRY OF SIGMATROPIC 1,5-HYDROGEN SHIFTS [J].
ROTH, WR ;
KONIG, J ;
STEIN, K .
CHEMISCHE BERICHTE-RECUEIL, 1970, 103 (02) :426-&
[8]  
ROTH WR, 1966, LIEBIGS ANN CHEM, V699, P24
[9]   ARRHENIUS PREEXPONENTIAL FACTORS FOR PRIMARY HYDROGEN KINETIC ISOTOPE-EFFECTS [J].
SCHNEIDE.ME ;
STERN, MJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) :1517-+
[10]  
Woodward R.B., 1970, CONSERVATION ORBITAL, P114