Arama Sonuçları - "Functionals"

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

Abstract

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

Energy density functional theory of many-electron systems Yazar: Kryachko, Eugene S.

Adsorption and dissociation of H2O2 on Cu2O(111) and F, N-doped Cu2O(111) surfaces for potential anti-microbial and anti-pollutant properties Yazar: Beronio, Ellaine Rose A., Santos-Putungan, Alexandra B., Putungan, Darwin B., Padama, Allan Abraham B.

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

Theory of functionals and of integrals and integro-differential equations. Yazar: Volterra, Vito

Density-functional theory of atoms and molecules Yazar: Parr, Robert G., Yang, Weitao

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

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

Abstract

A brief guide to molecular mechanics and quantum chemical calculations