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METHODOLOGY.
DFT-Periodic Functional Theory.
Car-Parinello Dynamics.
Hartee-Fock Correlations.
Multiscale Coarse Graining Approaches in Molecular Dynamics.
Molecular Dynamics, Diffusion.
Reactive Force Fields.
Equilibrium Monte Carlo Methods, Zeolites.
Kinetic Monte Carlo.
CATALYSIS AND MATERIALS SCIENCE APPLICATIONS.
NMR Methods.
XAS Spectroscopy Applied to Oxides.
XAS Spectroscopy Applied to Surfaces.
Vibrational Spectroscopy; Application Zeolites.
Surface Catalytic Reactivity, Metals.
Surface Catalytic Reactivity, Zeolites.
Scanning tunneling microscopy and spectroscopy simulations reaching chemical sensitivity.
Excited States (DFT).
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Add Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers, This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport prope, Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers to the inventory that you are selling on WonderClubX
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Add Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers, This practical guide describes the basic computational methodologies for catalysis and materials science at an introductory level, presenting the methods with relevant applications, such as spectroscopic properties, chemical reactivity and transport prope, Computational Methods in Catalysis and Materials Science: An Introduction for Scientists and Engineers to your collection on WonderClub |