NON-EMPIRICAL MOLECULAR-ORBITAL STUDY OF VALENCE TAUTOMERS OF C2H3N

被引:32
作者
HOPKINSON, AC
LIEN, MH
YATES, K
CSIZMADIA, IG
机构
[1] YORK UNIV,DEPT CHEM,DOWNSVIEW M3J 1P3,ONTARIO,CANADA
[2] UNIV TORONTO,DEPT CHEM,TORONTO,ONTARIO,CANADA
关键词
D O I
10.1002/qua.560120212
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:355 / 368
页数:14
相关论文
共 31 条
[1]  
ANDERSON DJ, 1969, CHEM COMMUN, P147
[2]   BETA-STYRYLNITRENE [J].
BOYER, JH ;
KRUEGER, WE ;
MIKOL, GJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (21) :5504-&
[3]   NON EMPIRICAL LCAO-MO-SCF CALCULATIONS WITH GAUSSIAN TYPE FUNCTIONS ON SOME 3 MEMBERED RING HETEROCYCLES .2. ENERGIES AND POPULATION ANALYSIS [J].
CLARK, DT .
THEORETICA CHIMICA ACTA, 1969, 15 (03) :225-&
[4]   ALKENYLCARBENES AS PRECURSORS OF CYCLOPROPENES [J].
CLOSS, GL ;
CLOSS, LE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (08) :2015-&
[5]   MECHANISM OF WOLFF REARRANGEMENT [J].
CSIZMADIA, IG ;
FONT, J ;
STRAUSZ, OP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (26) :7360-+
[6]  
DEWAR MJS, 1973, CHEM COMMUN, P688
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[8]  
Fowler, 1971, ADV HETEROCYCLIC CHE, V13, P45
[9]   REACTION OF 1-AZIRINES WITH ACID CHLORIDES . A POTENTIAL ROUTE TO 2-AZIRINE RING SYSTEM [J].
FOWLER, FW ;
HASSNER, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (11) :2875-+
[10]  
FRATER G, 1970, J AM CHEM SOC, V92, P6654