molecular dynamics

• Flexible molecular models for molecular dynamics study of near and supercritical water

  FluidPhaseEquilibria144 1998.287–298FlexiblemolecularmodelsformoleculardynamicsstudyofnearandsupercriticalwaterCheeChinLiew),HiroshiInomata,KunioAraiResearchCenterofSupercriticalFluidTechnology,Depart...

• molecular dynamics study of molecular mobility in catenanes

  Molecular dynamics study of molecular mobility in catenanesYe.V. Tourleigh1, a, K.V. Shaitan 1, b1Moscow State Univers...

• Spontaneous formation of helical states in polymer chains via molecular dynamics simulation

  6 2yaM 61 ]tfso.tam-dnoc[ 1v8145 6 /tam-dnco:viXraSpontaneousformationofhelicalstatesinpolymerchainsviamoleculardynamicssimulationS.A.Sabeura, ,F.Hamdachea,M.Bouarkatb(a)LaboratoiredePhysiquedesPlasma...

• molecular dynamics_Efficient Exploration of Reactive Energy Surfaces

  Efficient Exploration of Reactive Energy Surfaces Using Car-Parrinello Molecular DynamicsM.Iannuzzi, A.Laio, M.Parrinello. Phys.Rev.Lett. 2003, 90, 238302

• molecular dynamics study of the mechanical behavior of

  Available online at www.sciencedirect.comComputationalMaterialsScience41(2008)553–560www.elsevier.com/locate/commatsciMoleculardynamicsstudyofthemechanicalbehaviorofnickelnanowire:Strainratee ectsYu-H...

• Density Functional Theory and molecular dynamics Simulations '

  ...it-asci-tr116 Reply to "Comment on 'The Phase Diagram of MgO fromDensity Functional Theory and Molecular Dynamics Simulations' "Alejandro Strachan, Tahir Cagin, and William A. Goddard III

• A molecular dynamics study of void growth

  InternationalJournalofPlasticity22(2006)257–278www.elsevier.com/locate/ijplasAmoleculardynamicsstudyofvoidgrowthandcoalescenceinsinglecrystalnickelG.P.Potirnichea,M.F.HorstemeyerP.M.Gullettdaa,b,*,G.J...

• 【zhangr】molecular dynamics simulations of biotin in aqueous solution

  J.Phys.Chem.B2004,108,10131-1013710131MolecularDynamicsSimulationsofBiotininAqueousSolutionYiLei,HaoranLi,*RongZhang,andShijunHanDepartmentofChemistry,ZhejiangUniVersity,Hangzhou,310027,People’sRepubl...

• molecular dynamics study of n

  JOURNALOFCHEMICALPHYSICSVOLUME115,NUMBER315JULY2001Moleculardynamicsstudyofn-alcoholsadsorbedonanaqueouselectrolytesolutionHirofumiDaigujiInstituteofEnvironmentalStudies,GraduateSchoolofFrontierScienc...