Αποτελέσματα αναζήτησης - "Functionals."

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

Abstract

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

Energy density functional theory of many-electron systems από 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 από 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 από Geronimo, Inacrist M.

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

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

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

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

Abstract

A brief guide to molecular mechanics and quantum chemical calculations