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A model intermolecular potential for hydrogen fluoride including polarizability

โœ Scribed by S. Murad; K.A. Mansour; J.G. Powles


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
439 KB
Volume
131
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


An intermolecular potential model for hydrogen fluoride is proposed. This has a central Lennard-Jones part, three axial charges fixed by the dipole and quadrupole moments, and anisotropic polarizability. Good agreement with experimental values is found for the dimer, liquid and crystal lattice structures and energies, and for the second virial coefficient.


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A collision model for thevibrational relaxation of hydrogen fluoride at low temperatures is proposed. Because of the contribution of a strong hydrogen-bond attraction, the molecules are considered to undergo oscillatory motion about their equitibrium orientations This motion is taken to be primarily