IMPROVED SIMULATION OF LIQUID WATER BY MOLECULAR-DYNAMICS

被引:1613
作者
STILLINGER, FH
RAHMAN, A
机构
[1] BELL LABS INC, MURRAY HILL, NJ 07974 USA
[2] ARGONNE NATL LAB, ARGONNE, IL 60439 USA
关键词
D O I
10.1063/1.1681229
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:1545 / 1557
页数:13
相关论文
共 34 条
[1]  
ANGELL CA, TO BE PUBLISHED
[2]   Structure of water; A Monte Carlo calculation [J].
Barker, J. A. ;
Watts, R. O. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (03) :144-145
[3]  
BENNAIM A, 1972, STRUCTURE TRANSPORT
[4]   A THEORY OF THE DIELECTRIC POLARIZATION OF POLAR SUBSTANCES [J].
BUCKINGHAM, AD .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1956, 238 (1213) :235-244
[5]   H20-D20 ISOTOPE EFFECT IN PARTIAL MOLAL VOLUMES OF ALKALI METAL AND TETRAALKYLAMMONIUM SALTS [J].
CONWAY, BE ;
LALIBERT.LH .
JOURNAL OF PHYSICAL CHEMISTRY, 1968, 72 (12) :4317-&
[6]  
EISENBERG D, 1969, STRUCTURE PROPERTIES, pCH3
[7]   MOLECULAR ZEEMAN EFFECT IN DIAMAGNETIC MOLECULES AND DETERMINATION OF MOLECULAR MAGNETIC MOMENTS (G-VALUES), MAGNETIC SUSCEPTIBILITIES, AND MOLECULAR QUADRUPOLE MOMENTS [J].
FLYGARE, WH ;
BENSON, RC .
MOLECULAR PHYSICS, 1971, 20 (02) :225-&
[8]   WATER MOLECULE INTERACTIONS [J].
HANKINS, D ;
MOSKOWITZ, JW ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4544-+
[9]  
HANKINS D, 1973, J CHEM PHYS, V59, P995, DOI 10.1063/1.1680140
[10]   DIELECTRIC POLARIZATION IN POLAR SUBSTANCES [J].
HARRIS, FE ;
ALDER, BJ .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (06) :1031-1038