SYSTEMATIC CONFORMATIONAL-ANALYSIS - A MICROCOMPUTER METHOD FOR THE SEMIQUANTITATIVE EVALUATION OF POLYCYCLIC SYSTEMS CONTAINING 5-MEMBERED, 6-MEMBERED AND 7-MEMBERED RINGS .1. PROGRAM CHARACTERISTICS

被引:25
作者
DECLERCQ, PJ [1 ]
机构
[1] STATE UNIV GHENT,DEPT ORGAN CHEM,ZENTRUM ORGAN SYNTH,B-9000 GHENT,BELGIUM
关键词
D O I
10.1016/S0040-4020(01)88801-3
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:3717 / 3727
页数:11
相关论文
共 47 条
[1]   CONFORMATIONAL ANALYSIS .64. CALCULATION OF STTRUCTURES AND ENERGIES OF UNSATURATED HYDROCARBONS BY WESTHEIMER METHODS [J].
ALLINGER, NL ;
HIRSCH, JA ;
MILLER, MA ;
TYMINSKI, IJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (21) :5773-&
[2]   CONFORMATIONAL ANALYSIS .60. IMPROVED CALCULATIONS OF STRUCTURES AND ENERGIES OF HYDROCARBONS BY WESTHEIMER METHOD [J].
ALLINGER, NL ;
HIRSCH, JA ;
MILLER, MA ;
TYMINSKI, IJ ;
VANCATLE.FA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (05) :1199-&
[3]   CONFORMATIONAL-ANALYSIS .79. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF CARBONYL-COMPOUNDS [J].
ALLINGER, NL ;
TRIBBLE, MT ;
MILLER, MA .
TETRAHEDRON, 1972, 28 (05) :1173-&
[4]   CONFORMATIONAL-ANALYSIS .84. STUDY OF STRUCTURES AND ENERGIES OF SOME ALKENES AND CYCLOALKENES BY FORCE FIELD METHOD [J].
ALLINGER, NL ;
SPRAGUE, JT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (16) :5734-&
[5]   CONFORMATION OF NON-AROMATIC RING COMPOUNDS .25. GEOMETRY AND CONFORMATION OF RING D IN SOME STEROIDS FROM X-RAY STRUCTURE DETERMINATIONS [J].
ALTONA, C ;
GEISE, HJ ;
ROMERS, C .
TETRAHEDRON, 1968, 24 (01) :13-&
[6]  
Altona C., 1974, TOP CURR CHEM, V45, P1
[7]  
[Anonymous], 1976, Adv. Phys. Org. Chem, DOI DOI 10.1016/S0065-3160(08)60212-9
[8]   THE THERMODYNAMIC PROPERTIES AND MOLECULAR STRUCTURE OF CYCLOHEXANE, METHYLCYCLOHEXANE, ETHYLCYCLOHEXANE AND THE 7 DIMETHYLCYCLOHEXANES [J].
BECKETT, CW ;
PITZER, KS ;
SPITZER, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1947, 69 (10) :2488-2495
[9]   VIBRATIONAL-SPECTRA, POTENTIAL FUNCTIONS, AND CONFORMATIONS OF CYCLOHEPTANONE [J].
BOCIAN, DF ;
STRAUSS, HL .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (03) :1071-1081
[10]   CONFORMATIONAL STRUCTURE AND ENERGY OF CYCLOHEPTANE AND SOME RELATED OXEPANES [J].
BOCIAN, DF ;
STRAUSS, HL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (09) :2876-2882