MONTE-CARLO STUDIES OF AQUEOUS-SOLUTION OF NITROGEN USING DIFFERENT POTENTIAL-ENERGY SURFACES

被引:14
作者
FOIS, ES [1 ]
GAMBA, A [1 ]
MOROSI, G [1 ]
DEMONTIS, P [1 ]
SUFFRITTI, GB [1 ]
机构
[1] UNIV SASSARI,IST CHIM FIS,I-07100 SASSARI,ITALY
关键词
D O I
10.1080/00268978600100991
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:65 / 83
页数:19
相关论文
共 48 条
[2]   SOME PRELIMINARY-RESULTS FROM A MONTE-CARLO STUDY OF A DILUTE AQUEOUS-SOLUTION OF ETHANOL [J].
ALAGONA, G ;
TANI, A .
CHEMICAL PHYSICS LETTERS, 1982, 87 (04) :337-343
[3]   STRUCTURE OF A DILUTE AQUEOUS-SOLUTION OF ARGON - MONTE-CARLO SIMULATION [J].
ALAGONA, G ;
TANI, A .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :580-588
[4]   STUDIES IN MOLECULAR DYNAMICS .2. BEHAVIOR OF A SMALL NUMBER OF ELASTIC SPHERES [J].
ALDER, BJ ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (05) :1439-1451
[5]   Structure of water; A Monte Carlo calculation [J].
Barker, J. A. ;
Watts, R. O. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (03) :144-145
[6]  
Ben-Naim A., 1974, WATER AQUEOUS SOLUTI
[7]   METHANOL IN WATER SOLUTION AT 300-K [J].
BOLIS, G ;
CORONGIU, G ;
CLEMENTI, E .
CHEMICAL PHYSICS LETTERS, 1982, 86 (03) :299-306
[8]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[9]   MOLECULAR QUADRUPOLE MOMENTS [J].
BUCKINGHAM, AD .
QUARTERLY REVIEWS, 1959, 13 (03) :183-214
[10]  
CLEMENTI E, 1981, BIOPOLYMERS, V20, P551