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MessagePosté le: Dim 4 Sep - 00:10 (2016)    Sujet du message: Molecular Dynamics With Coupling To An External Bath Pdf Do Répondre en citant




Molecular Dynamics With Coupling To An External Bath Pdf Download > bit.ly/2cp1vXf

























































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In,,,many,,,instances,,,,systems,,,are,,,initially,,,equilibrated,,,using,,,the,,,Berendsen,,,scheme,,,,while,,,properties,,,are,,,calculated,,,using,,,the,,,widely,,,known,,,Nos-Hoover,,,thermostat,,,,which,,,correctly,,,generates,,,trajectories,,,consistent,,,with,,,a,,,canonical,,,ensemble.,,,van,,,,Gunsteren1,,,,,A.,,,,SEARCHEXPANDITEM.,,,Madura,,,Roger,,W.,,Basic,,Description[edit].,,

P.,,,,81,,,,,3684,,,,(1984);,,,,/content/aip/journal/jcp/81/8/10.1063/1.448118,,,,/content/aip/journal/jcp/81/8/10.1063/1.448118,,,,Data,,,,&,,,,Media,,,,loading.,,,,The,,,,atoms,,,,boron,,,,through,,,,neon,,,,and,,,,hydrogen,,,,By,,,,Thom,,,,H.,,,,81,,,,3684,,,(1984);,,,USD,,,Buy:,,,$30.00,,,Rent:,,,Rent,,,this,,,article,,,for,,,10.1063/1.448118,,,Previous,,,Article,,,Table,,,of,,,Contents,,,Next,,,Article,,,Abstract,,,Full,,,Text,,,References,,,(37),,,Cited,,,By,,,(10658),,,Data,,,&,,,Media,,,Metrics,,,Related,,,Abstract,,,In,,,molecular,,,dynamics,,,(MD),,,simulations,,,the,,,need,,,often,,,arises,,,to,,,maintain,,,such,,,parameters,,,as,,,temperature,,,or,,,pressure,,,rather,,,than,,,energy,,,and,,,volume,,,,or,,,to,,,impose,,,gradients,,,for,,,studying,,,transport,,,properties,,,in,,,nonequilibrium,,,MD.,,,,,,1984,,,American,,,Institute,,,of,,,Physics,,,DOI:,,,Received,,,30,,,April,,,1984,,,Accepted,,,27,,,June,,,1984,,,Key,,,Topics,,,Molecular,,,dynamics,,,2.0,,,Transport,,,properties,,,1.0,,,0,,,2.0,,,Commenting,,,has,,,been,,,disabled,,,for,,,this,,,content,,,Submit,,,comment,,,Close,,,Comment,,,moderation,,,successfully,,,completed,,,/content/aip/journal/jcp/81/8/10.1063/1.448118,,,Molecular,,,dynamics,,,with,,,coupling,,,to,,,an,,,external,,,bath,,,J.,,,Click,,here,,to,,download,,this,,PDF,,to,,your,,device.,,&advertTargetUrl=//oascentral.aip.org/RealMedia/ads/&sitePageValue=jcp.aip.org/81/8/10.1063/1.448118&pageURL=,,,.,,,

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