Exploring the molecular mechanisms of reactions at surfaces

Article

Abstract: The study of the molecular mechanism of chemical reactions occurring at solid surfaces is of primary

Palabras claves:

AB-INITIO, AUGMENTED-WAVE METHOD, Density-functional theory, ELECTRONIC-STRUCTURE, ETHYLENE EPOXIDATION, HETEROGENEOUS EPOXIDATION, METAL-SURFACES, RHCU(111) SURFACES, SELECTIVE OXIDATION, THERMAL-DECOMPOSITION

Autores:

S. Gonzalez Perez

Fuentes:

rraae