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A simplified representation of intermolecular potential energy

✍ Scribed by G.C. Maitland; E.B. Smith

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
371 KB
Volume
22
Category
Article
ISSN
0009-2614

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✦ Synopsis

A nex simple function which is capable of representing the intermolecular pair potential energy of tic kert gases is proposed. It is based on the traditional n-6 rcciprocaf power poten..iaI with the modification that n is regarded iis a function of separation rather than as a constant.

πŸ“œ SIMILAR VOLUMES

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Atom-atom potentials representing separate contributions to the nonempirical interaction energy have been derived in the SCF decomposition scheme corrected for basis set superposition error by the counterpoise method. The nontransferable long-range electrostatic multipole and classical induction ter