An Efficient Local Molecular Dynamics Polymerization Simulation Combined with an Ab Initio MO Method

Lignende værker

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• Ab Initio Molecular Dynamics Simulations of Solvated Electrons in Ammonia Clusters
  af: Baranyi, Bence, et al.
  Udgivet: (2020)
• On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations
  af: Bucher, Denis, et al.
  Udgivet: (2011)
• Ab Initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and Goethite
  af: Ganta, Prasanth B., et al.
  Udgivet: (2020)
• Ab Initio Molecular Dynamics Simulations of the S(N)1/S(N)2 Mechanistic Continuum in Glycosylation Reactions
  af: Fu, Yue, et al.
  Udgivet: (2021)