Energy transfer and trapping in a mixed molecular solid: a Monte Carlo simulation study
β Scribed by Tapan Kumar Parichha; G.B. Talapatra
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 351 KB
- Volume
- 257
- Category
- Article
- ISSN
- 0009-2614
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Computer slmulstmns of soluuons m a &polar hard-sphcrc solvent of lhrce molcculcs hwmg the same gcomctmzd propcrlics but whose clcctrosblrc cbractertsttcs arc rcspccllvcly a pure dlpolc. a pure quadrupolc, and a $ct of four porn1 charges wlncl~ WCS rise to a tnulltpobr cxpsnsion, hvc been pcrformcd.
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## Abstract A mixed Monte Carlo/Molecular Dynamics method using the trial moves for peptide backbone sampling known as Concerted Rotations with Angles was implemented. The algorithm was used to study polyalanine systems. Equivalent results to conventional Molecular Dynamics were obtained for simula