ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON THIRENE - THERMODYNAMIC STABILITY OF 5 C2H2S ISOMERS

被引：30
作者：
STRAUSZ, OP
GOSAVI, RK
BERNARDI, F
MEZEY, PG
GODDARD, JD
CSIZMADIA, IG
机构：
[1] UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
[2] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
来源：
CHEMICAL PHYSICS LETTERS | 1978年 / 53卷 / 02期
关键词：
D O I：
10.1016/0009-2614(78)85381-0
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：211 / 214
页数：4
相关论文
共 16 条
[1]   ANTIAROMATICITY [J].
BRESLOW, R .
ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (12) :393-398
[2]   ANTIAROMATICITY OF CYCLOPROPENYL ANIONS [J].
BRESLOW, R ;
BROWN, J ;
GAJEWSKI, JJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4383-&
[3]  
Breslow R., 1965, CHEM ENG NEWS, V43, P90, DOI 10.1021/cen-v043n026.p090
[4]  
CLARK DT, 1972, INT J SULFUR CHEM C, V7, P11
[5]   MECHANISM OF WOLFF REARRANGEMENT .5. SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON ALPHA-DIAZO KETONES, OXIRENES, AND RELATED REACTION INTERMEDIATE [J].
CSIZMADI.IG ;
GUNNING, HE ;
GOSAVI, RK ;
STRAUSZ, OP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (01) :133-137
[6]   QUANTUM CHEMICAL STUDY ON RELATIVE THERMODYNAMIC STABILITIES OF 2 ISOMERIC SPECIES OF C2H3S+ [J].
CSIZMADIA, IG ;
DUKE, AJ ;
LUCCHINI, V ;
MODENA, G .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1974, (15) :1808-1812
[7]   MINDO-3 AND NDDO STUDY OF ANTIAROMATIC 3-MEMBERED RINGS AND THEIR VALENCE TAUTOMERS [J].
DEWAR, MJS ;
RAMSDEN, CA .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1973, (18) :688-689
[8]   SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2769-+
[9]  
HEHRE WJ, QCPE236 GAUSSIAN IND
[10]   NON-EMPIRICAL MOLECULAR-ORBITAL STUDY OF WOLFF REARRANGEMENT [J].
HOPKINSON, AC .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1973, (06) :794-795
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