Correlation between structure and dynamics of CO2 confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study
Indu Dhiman, Marcella C. Berg, David R. Cole, Siddharth Gautam
Topics & Concepts
Molecular dynamicsDynamics (music)Space (punctuation)Chemical physicsCorrelationStatistical physicsMaterials scienceChemistryBiological systemComputational chemistryPhysicsComputer scienceMathematicsOperating systemGeometryBiologyAcousticsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesPhase Equilibria and Thermodynamics