Self-diffusion coefficients of amines, a molecular dynamics study
Luis E. Castro-Anaya, Gustavo A. Orozco
Topics & Concepts
ChemistryOPLSMolecular dynamicsMethylamineDiffusionThermodynamicsEthanolamineHydrogen bondForce field (fiction)Self-diffusionPhysical chemistryComputational chemistryOrganic chemistryMoleculeWater modelComputer sciencePhysicsSelf-serviceBusinessArtificial intelligenceMarketingPhase Equilibria and ThermodynamicsCarbon Dioxide Capture TechnologiesChemical Thermodynamics and Molecular Structure