Density functional theory study of CO2 adsorption on Cu-doped WO3 מאת 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 מאת Tomacruz, Jan Goran T.

Abstract

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... מאת Serraon, Ace Christian F.

Abstract

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

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Statistical complexity applications in electronic structure

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

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

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

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

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