STRUCTURE AND DYNAMICS OF ASSOCIATED MOLECULAR-SYSTEMS .2. ATOM-ATOM POTENTIALS AND THE PROPERTIES OF AMMONIA

被引:47
作者
KLEIN, ML
MCDONALD, IR
RIGHINI, R
机构
[1] UNIV CAMBRIDGE,DEPT PHYS CHEM,CAMBRIDGE CB2 1EP,ENGLAND
[2] UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
[3] UNIV FLORENCE,IST CHIM FIS,I-50121 FLORENCE,ITALY
关键词
D O I
10.1063/1.438821
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
The properties of ammonia are briefly reviewed. Recently proposed models for the intermolecular forces between ammonia molecules are tested by calculating selected properties other than those used in their parameterization. Results are reported for the second virial coefficient of the gas, the zero wave vector lattice frequencies of the solid, and the atomic pair distribution functions for the liquid. It is concluded that none of the existing atom-atom models is entirely satisfactory. © 1979 American Institute of Physics.
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页码:3673 / 3682
页数:10
相关论文
共 54 条
[1]   DENSITY AND VISCOSITY OF LIQUID ND3 [J].
ALEI, M ;
LITCHMAN, WM .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4106-&
[2]   PRESSURE BROADENING OF THE AMMONIA INVERSION LINE BY FOREIGN GASES - QUADRUPOLE-INDUCED DIPOLE INTERACTIONS [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1950, 80 (04) :511-513
[3]   MOLECULAR CHARGE DISTRIBUTIONS AND CHEMICAL BINDING [J].
BADER, RFW ;
HENNEKER, WH ;
CADE, PE .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (09) :3341-&
[4]  
BARKER JA, 1975, RARE GAS SOLIDS, V1
[5]   VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA [J].
BENEDICT, WS ;
PLYLER, EK .
CANADIAN JOURNAL OF PHYSICS, 1957, 35 (10) :1235-1241
[6]  
BEVAN JW, 1975, J CHEM SOC CHEM COMM, V130
[7]  
BEZUGLYI PA, 1965, UKR FIZ ZH, V10, P1251
[8]   RAMAN SPECTRA OF MOLECULAR-CRYSTALS - AMMONIA AND 3-DEUTERO-AMMONIA [J].
BINBREK, OS ;
ANDERSON, A .
CHEMICAL PHYSICS LETTERS, 1972, 15 (03) :421-+
[9]   POLARIZATION OF LASER LIGHT SCATTERED BY GASES [J].
BRIDGE, NJ ;
BUCKINGHAM, AD .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1442) :334-+
[10]   THE STARK EFFECT OF THE AMMONIA INVERSION SPECTRUM [J].
COLES, DK ;
GOOD, WE ;
BRAGG, JK ;
SHARBAUGH, AH .
PHYSICAL REVIEW, 1951, 82 (06) :877-878