ISOTOPE EFFECTS IN MOLECULAR MECHANICS (MM2) CALCULATIONS ON DEUTERIUM COMPOUNDS

被引:163
作者
ALLINGER, NL
FLANAGAN, HL
机构
关键词
D O I
10.1002/jcc.540040315
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:399 / 403
页数:5
相关论文
共 27 条
[1]   THE CONFORMERS OF 2-BROMOCYCLOHEXANONE [J].
ALLINGER, J ;
ALLINGER, NL .
TETRAHEDRON, 1958, 2 (1-2) :64-74
[2]  
Allinger N. L., 1980, QCPE, P395
[3]   CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].
ALLINGER, NL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8127-8134
[4]   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-&
[5]  
ALTONA C, 1974, TOP CURR CHEM, V45, P1
[6]   ISOTOPIC PERTURBATION OF DEGENERATE CONFORMATIONAL EQUILIBRIA [J].
ANET, FAL ;
BASUS, VJ ;
HEWETT, APW ;
SAUNDERS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (11) :3945-3946
[7]  
[Anonymous], 1976, ADV PHYS ORG CHEM
[8]  
[Anonymous], ASPEKTE KRAFTFELDREC
[9]   ISOTOPE EFFECTS .3. HYDROGEN ISOTOPE EFFECTS ON CONFORMATIONAL EQUILIBRIA DERIVATIVES OF CYCLOHEXANE [J].
BALDRY, KW ;
ROBINSON, MJT .
TETRAHEDRON, 1977, 33 (13) :1663-1668
[10]   REPRESENTATIONS OF MOLECULAR-FORCE FIELDS .3. GAUCHE CONFORMATIONAL ENERGY [J].
BARTELL, LS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (10) :3279-3282