CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS

被引：615
作者：
ALLINGER, NL
TRIBBLE, MT
MILLER, MA
WERTZ, DH
机构：
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1971年 / 93卷 / 07期
关键词：
D O I：
10.1021/ja00736a012
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：1637 / &
相关论文
共 98 条
[1]   CONFORMATIONAL ENERGIES OF N-ALKANES AND RANDOM CONFIGURATION OF HIGHER HOMOLOGS INCLUDING POLYMETHYLENE [J].
ABE, A ;
JERNIGAN, RL ;
FLORY, PJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (04) :631-&
[2]   STRUCTURE, EQUILIBRIUM CONFORMATION, AND PSEUDOROTATION IN CYCLOPENTANE - AN ELECTRON DIFFRACTION STUDY [J].
ADAMS, WJ ;
GEISE, HJ ;
BARTELL, LS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (17) :5013-&
[3]   CONCERNING MECHANISM OF SINGLE-BOND SHORTENING . EVIDENCE FROM CRYSTAL STRUCTURES OF 1-BIAPOCAMPHANE 1-BINORBORNANE AND 1-BIADAMANTANE [J].
ALDEN, RA ;
KRAUT, J ;
TRAYLOR, TG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (01) :74-&
[4]   CONFORMATIONAL ANALYSIS .57. CALCULATION OF CONFORMATIONAL STRUCTURES OF HYDROCARBONS BY WESTHEIMER-HENDRICKSON-WIBERG METHOD [J].
ALLINGER, NL ;
MILLER, MA ;
VANCATLE.FA ;
HIRSCH, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4345-&
[5]   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-&
[6]   EVIDENCE FOR TWISTED NORBORNANES - X-RAY DIFFRACTION AND VALENCE FORCE-FIELD CALCULATIONS [J].
ALTONA, C ;
SUNDARAL.M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (07) :1995-+
[7]  
[Anonymous], 1968, ADV PHYS ORG CHEM
[8]  
[Anonymous], MOL VIBRATIONS
[9]   DERIVATION OF PHYSICALLY SIGNIFICANT NONBONDED INTERACTION CONSTANTS IN HYDRIDES BY A MODIFIED UREY-BRADLEY ANALYSIS [J].
BARTELL, LS ;
KUCHITSU, K .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (04) :691-+
[10]   ON INFERENCES OF BOND CHARACTER FROM BOND LENGTH - IMPORTANT ROLE OF NONBONDED INTERACTIONS [J].
BARTELL, LS .
TETRAHEDRON, 1962, 17 (3-4) :177-&
12345678910