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Keyword [Force Field]
Result: 181 - 200 | Page: 10 of 10
181. Theoretical and experimental study of inclusion removal from molten metal under an alternating electromagnetic force field
182. Development of a scaled quantum mechanical force field for peptides in aqueous solution
183. Quantum mechanical development of potential energy parameters for molecular dynamics simulations of the clay/solution interface
184. Thermodynamics and speciation of actinide materials in the condensed phase using atomistic simulations
185. On the derivation of accurate force field parameters for molecular mechanics simulations
186. Development and application of the Reaxff potential for heterogeneous catalysis and metal oxidation: Toward the dynamic sampling of large free energy surface
187. Theoretical Investigations On Reaction Mechanisms Of Ruthenium Complexes By ABEEM?? Polarizable Force Field Combined With QM
188. The DFT And ReaxFF Reactive Force Field Study On Higher Alcohols Synthesis From Syngas Over Cu/Co Bimetallic Catalysts
189. Study On The Molecular Simulation Of The Association Characteristics And Vapor-liquid Phase Equilibrium Properties For Acetic Acid Systems
190. Theoretical Studies On The Hydrogen Bond Rotation Of Quasi-one-dimensional Confined Water
191. Confined Water In Graphene Nanocapillary Studied By ABEEM?? Polarizable Force Field
192. Molecular Simulation Studies On Gas Adsorption, Diffusion And Catalytic Conversion Process On Micro-Mesoporous Materials
193. Molecular Dynamics Study On Coating And Combustion Of Aluminum Nanoparticles Based On ReaxFF Force Field
194. The Separation Behavior And Separation Mechanism Of Coarse Coal Slime In Centrifugal Compounding Force Field
195. Chemical Dynamics Simulations Studies On The Dissociation And Collision Mechanisms Of Peptides Containing Arginine
196. Search Of The Conformations Of Organic Molecules And Methionine Dipeptide With ABEEM/MM Method
197. Study On Solvation Free Energy Of Peptide Containing Charged Amino Acid Residue Based On ABEEM??/GB-SA Model
198. Machine Learning Force Field Model Based On First-principles Calculations
199. Pyrolysis And Flame Retardant Mechanism Of Flame Retarded Polycarbonate Based On Reactive Force Field
200. Molecular Dynamics Simulation Of Mixed Alkane Nano-lubrication
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