Dynamics of Molecule Surface Interactions.pdf

Dynamics of Molecule Surface Interactions

Gert-Due Billing

Basic ConceptsSurface DiffusionInteraction PotentialsQuantum Treatment of Atom/Molecule-Surface ScatteringClassical Mechanical TreatmentThe Generalized Langevin EquationA Semiclassical ApproachElectron Gas TheoriesDensity Functional TheoryElectron-Hole Pair ExcitationPerspective.

Molecular dynamics simulations have been used to study molecular ... In recent works, simulations using high concentration of interacting molecules have ... In this definition, two atoms are in contact when their van der Waals surfaces are ...

6.55 MB Taille du fichier
9780471331087 ISBN
Dynamics of Molecule Surface Interactions.pdf

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