ABINITIO CALCULATIONS OF THE ROTATIONAL POTENTIAL FUNCTIONS FOR PROPYLAMINE AND ETHYLMETHYLAMINE

被引：26

作者：

ALLINGER, NL ^{[1
]}

BURKERT, U ^{[1
]}

PROFETA, S ^{[1
]}

机构：

[1] UNIV KONSTANZ,FAK CHEM,D-7750 KONSTANZ 12,FED REP GER

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1980年 / 1卷 / 03期

关键词：

D O I：

10.1002/jcc.540010310

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：281 / 284

页数：4

共 23 条

[1] 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

[2] ACETONE, AB-INITIO CALCULATIONS [J].

ALLINGER, NL ;

HICKEY, MJ .

TETRAHEDRON, 1972, 28 (08) :2157-&

[3] PROPIONALDEHYDE - AB-INITIO AND SEMIEMPIRICAL CALCULATIONS [J].

ALLINGER, NL ;

HICKEY, MJ .

JOURNAL OF MOLECULAR STRUCTURE, 1973, 17 (02) :233-237

[4] THE TORSIONAL POTENTIAL FUNCTION FOR NORMAL-BUTANE [J].

ALLINGER, NL ;

PROFETA, S .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (02) :181-184

[5] CONFORMATIONAL-ANALYSIS .117. METHYL-ETHYL-DISULFIDE - MOLECULAR MECHANICS AND MOLECULAR-ORBITAL CALCULATIONS [J].

ALLINGER, NL ;

KAO, J ;

CHANG, HM ;

BOYD, DB .

TETRAHEDRON, 1976, 32 (23) :2867-2873

[6]

ALLINGER NL, 1976, J AM CHEM SOC, V98, P3282

[7]

ALTONA C, 1974, TOP CURR CHEM, V85, P1

[8]

[Anonymous], 1976, ADV PHYS ORG CHEM

[9] CONFORMATIONAL-ANALYSIS OF SOME TRANS-2-DECALONE SYSTEMS BY COMBINED MOLECULAR MECHANICS AND AB-INITIO CALCULATIONS [J].

ASKARI, M ;

OSTLUND, NS ;

SCHAFER, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5246-5248

[10]

BARTELL LS, 1976, J AM CHEM SOC, V98, P3279

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