๐”– Bobbio Scriptorium
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Increasing the efficiency of Monte Carlo simulation with sampling from an approximate potential

โœ Scribed by Bandyopadhyay, Pradipta


Book ID
122799871
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
527 KB
Volume
556
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


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โœ James M. Briggs; Tooru Matsui; William L. Jorgensen ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 932 KB

Intermolecular potential functions have been developed for use in computer simulations of alkyl ethers. The simple OPLS model was adopted and parameterized to yield good descriptions of bimolecular and ion-molecule complexes as well as to reproduce experimental thermodynamic properties of liquid eth

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Intermolecular potential functions have been developed for use in computer simulations of substituted benzenes. Previously reported optimized potentials for liquid simulations (OPLS) for benzene and organic functional groups were merged and tested by computing free energies of hydration for toluene,