ERROR IN CALCULATION OF ROTATIONAL BARRIER IN MOLECULAR-CRYSTALS

被引:9
作者
BUSING, WR
机构
关键词
D O I
10.1016/0022-3697(78)90186-5
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:691 / 691
页数:1
相关论文
共 7 条
[1]   POTENTIAL-ENERGY CALCULATIONS OF ROTATIONAL BARRIERS IN MOLECULAR SOLIDS .1. POLYCYCLIC AROMATICS [J].
BOYD, RK ;
FYFE, CA ;
WRIGHT, DA .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1974, 35 (10) :1355-1365
[2]   POTENTIAL-ENERGY CALCULATIONS OF ROTATIONAL BARRIERS OF MOLECULAR SOLIDS .2. DYNAMIC STRUCTURES OF ADAMANTANE AND HEXAMETHYLENETETRAMINE IN SOLID-STATE AND NATURE OF PHASE-TRANSITION IN ADAMANTANE [J].
FYFE, CA ;
HAROLDSMITH, D .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1976, 54 (05) :769-782
[3]  
GAVAZZOTTI A, 1975, ACTA CRYST A, V31, P645
[4]   EMPILEMENT DES MOLECULES DANS UN CRISTAL POTENTIEL DINTERACTION DES ATOMES NON LIES PAR DES LIAISONS DE VALENCE ET CALCUL DU MOUVEMENT DES MOLECULES [J].
KITAIGOR.A .
JOURNAL DE CHIMIE PHYSIQUE, 1966, 63 (01) :9-&
[5]   CALCULATION OF PHONON FREQUENCIES IN MOLECULAR-CRYSTALS FROM ATOMIC INTERACTION POTENTIALS .1. POSSIBLE REORIENTATION OF BENZENE AND HEXAMETHYLENE MOLECULES IN THEIR CRYSTAL-LATTICE [J].
SANQUER, M ;
MESSAGER, JC .
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1973, 20 (02) :107-118
[6]   NONBONDED POTENTIAL PARAMETERS DERIVED FROM CRYSTALLINE HYDROCARBONS [J].
WILLIAMS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4680-&
[7]   NONBONDED POTENTIAL PARAMETERS DERIVED FROM CRYSTALLINE AROMATIC HYDROCARBONS [J].
WILLIAMS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (10) :3770-&