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

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Computational evaluation of NaFe [BP₂O₇(OH)₃] and NaNi [BP₂O₇(OH)₃] as cathode materials for sodium ion batteries door Arila, Ruel J. Jr

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Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions door 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... door Serraon, Ace Christian F.

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Statistical complexity applications in electronic structure

Available for University of the Philippines Diliman via SpringerLink. Click here to access

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

Available for UP System via Springer Link.

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

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

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

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

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