Density functional theory study of CO2 adsorption on Cu-doped WO3 ανά Muldong, Renz Mikhail C.

Abstract

Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions ανά Tomacruz, Jan Goran T.

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Towards a new class of computationally predicted carbon-based two-dimensional nanomaterials: a density functional theory (DFT) study on alkaline earth doped graphene for oxygen red... ανά Serraon, Ace Christian F.

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Density functional theory an advanced course ανά Engel, Eberhard, Dreizler, Reiner M.

Available for UP System via Springer Link.

Statistical complexity applications in electronic structure

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Density functional theory a practical introduction ανά Sholl, David S., Steckel, Janice A.

Density functional study of three dimensional water hexamers in the quantum cluster equilibrium model ανά Geronimo, Inacrist M.

Electronic structure calculations for solids and molecules theory and computational methods. ανά Kohanoff, Jorge

Solvent effects on chemical shielding CSGT-DFT studies using the polarizable continuum model ανά Manalo, Marlon N.

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An options-based analysis of emerging market exchange rate expectations Brazil's real plan, 1994-1997 ανά Campa, Jose M.