SAM1 - THE 1ST OF A NEW SERIES OF GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODELS

被引:271
作者
DEWAR, MJS
JIE, CX
YU, JG
机构
[1] Department of Chemistry, University of Florida, Gainesville
关键词
D O I
10.1016/S0040-4020(01)81868-8
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
[No abstract available]
引用
收藏
页码:5003 / 5038
页数:36
相关论文
共 42 条
[1]  
[Anonymous], 1986, THERMOCHEMICAL DATA
[2]   MICROWAVE SPECTROSCOPIC STUDY OF MALONALDEHYDE .3. VIBRATION-ROTATION INTERACTION AND ONE-DIMENSIONAL MODEL FOR PROTON TUNNELING [J].
BAUGHCUM, SL ;
SMITH, Z ;
WILSON, EB ;
DUERST, RW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (08) :2260-2265
[3]   ENE REACTION OF MALEIC-ANHYDRIDE WITH ALKENES [J].
BENN, FR ;
DWYER, J ;
CHAPPELL, I .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1977, (05) :533-535
[4]  
Beveridge DL, 1970, APPROXIMATE MOL ORBI
[5]   SUBSTITUENT EFFECTS ON THE ALIPHATIC CLAISEN REARRANGEMENT .1. SYNTHESIS AND REARRANGEMENT OF CYANO-SUBSTITUTED ALLYL VINYL ETHERS [J].
BURROWS, CJ ;
CARPENTER, BK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (23) :6983-6984
[6]   THERMAL ISOMERIZATION OF CYCLOBUTENE [J].
CARR, RW ;
WALTERS, WD .
JOURNAL OF PHYSICAL CHEMISTRY, 1965, 69 (03) :1073-&
[7]  
Chase Jr M. W., 1985, J PHYS CHEM REF D S1, V14
[8]   SYNTHESIS AND CLAISEN REARRANGEMENT OF ALKOXYALLYL ENOL ETHERS - EVIDENCE FOR A DIPOLAR TRANSITION-STATE [J].
COATES, RM ;
ROGERS, BD ;
HOBBS, SJ ;
PECK, DR ;
CURRAN, DP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (04) :1160-1170
[9]   THE THERMAL ISOMERIZATION OF CYCLOBUTENE [J].
COOPER, W ;
WALTERS, WD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1958, 80 (16) :4220-4224
[10]   THERMODYNAMIC PROPERTIES OF GAS-PHASE HYDROGEN-BONDED COMPLEXES [J].
CURTISS, LA ;
BLANDER, M .
CHEMICAL REVIEWS, 1988, 88 (06) :827-841