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

Abstract

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

Abstract

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

Abstract

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 von Engel, Eberhard, Dreizler, Reiner M.

Available for UP System via Springer Link.

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

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

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

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

Full text access requires UP Webmail login