ELECTROSTATIC TERM IN LATTICE-ENERGY CALCULATIONS - C2H2, CO2, AND C2N2

被引:60
作者
HIRSHFELD, FL
MIRSKY, K
机构
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1979年 / 35卷 / MAY期
关键词
D O I
10.1107/S0567739479000942
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:366 / 370
页数:5
相关论文
共 24 条
[1]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .4. WATER WITH GLYCINE AND SERINE ZWITTERIONS [J].
CAROZZO, L ;
CORONGIU, G ;
PETRONGOLO, C ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :787-793
[2]   COULD ACETIC-ACID CRYSTALIZE AS DIMERS [J].
DERISSEN, JL ;
SMIT, PH .
ACTA CRYSTALLOGRAPHICA SECTION A, 1977, 33 (JAN1) :230-232
[3]   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
[4]   POTENTIAL-ENERGY CALCULATIONS OF MECHANISMS OF SELF-DIFFUSION IN MOLECULAR-CRYSTALS - ADAMANTANE [J].
FYFE, CA ;
HAROLDSMITH, D .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1976, 54 (05) :783-789
[5]   BONDED-ATOM FRAGMENTS FOR DESCRIBING MOLECULAR CHARGE-DENSITIES [J].
HIRSHFELD, FL .
THEORETICA CHIMICA ACTA, 1977, 44 (02) :129-138
[6]  
Jones A.H., 1960, J CHEM ENG DATA, V5, P196, DOI DOI 10.1021/JE60006A019
[7]   The lattice constant and expansion coefficient of solid carbon dioxide [J].
Keesom, WH ;
Kohler, JWL .
PHYSICA, 1934, 1 :655-658
[8]  
Kitaigorodsidi A. I., 1973, MOL CRYSTALS MOL
[9]  
KITAIGORODSKII AI, 1970, SOV PHYS CRYSTALLOGR, V14, P769
[10]   STRUCTURE OF SOLID ACETYLENE-D2,C2D2, AT 4.2 K - FURTHER REFINEMENT [J].
KOSKI, HK .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1975, 31 (MAR15) :933-935