NEW MOLECULAR MECHANICS (MM2) PARAMETERS FOR KETONES AND ALDEHYDES

被引：46

作者：

BOWEN, JP ^{[1
]}

PATHIASERIL, A ^{[1
]}

PROFETA, S ^{[1
]}

ALLINGER, NL ^{[1
]}

机构：

[1] UNIV GEORGIA,SCH CHEM SCI,DEPT CHEM,ATHENS,GA 30602

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1987年 / 52卷 / 23期

关键词：

D O I：

10.1021/jo00232a019

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：5162 / 5166

页数：5

相关论文

共 47 条

[1] ELECTRON-DIFFRACTION STUDY OF ROTATIONAL ISOMERISM OF METHYL ETHYL KETONE
ABE, M
KUCHITSU, K
SHIMANOU.T
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1969, 4 (2-4) : 245 - &
[2] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS
ALLINGER, NL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) : 8127 - 8134
[3] CONFORMATIONAL-ANALYSIS .79. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF CARBONYL-COMPOUNDS
ALLINGER, NL
TRIBBLE, MT
MILLER, MA
[J]. TETRAHEDRON, 1972, 28 (05) : 1173 - &
[4] ACETONE, AB-INITIO CALCULATIONS
ALLINGER, NL
HICKEY, MJ
[J]. TETRAHEDRON, 1972, 28 (08) : 2157 - &
[5] PROPIONALDEHYDE - AB-INITIO AND SEMIEMPIRICAL CALCULATIONS
ALLINGER, NL
HICKEY, MJ
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1973, 17 (02) : 233 - 237
[6] THE TORSIONAL POTENTIAL FUNCTION FOR NORMAL-BUTANE
ALLINGER, NL
PROFETA, S
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (02) : 181 - 184
[7] CONFORMATIONAL ANALYSIS .16. ENERGY OF BOAT FORM OF CYCLOHEXANONE - DIRECT MEASUREMENTS OF 2-ALKYL KETONE EFFECTS
ALLINGER, NL
BLATTER, HM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (04) : 994 - +
[8] ALLINGER NL, 1973, REV LATINOAM QUIM, V4, P127
[9] ALLINGER NL, 1983, INT J SPECTROSC, V2, P366
[10] ALTONA C, 1974, TOP CURR CHEM, V45, P1

← 1 2 3 4 5 →