Author, as appears in the article.: Mejías J; Márquez A; Fernández Sanz J; Fernández-García M; Ricart J; Sousa C; Illas F

Department: Química Física i Inorgànica

URV's Author/s: Ricart Pla, Jose Manuel

Keywords: Self-consistent-field Mgo surfaces Magnesium-oxide Low index single crystal surfaces Ionic-crystals Hartree-fock Frequency-shift Electronic-structure Cluster model Chemisorption Alkaline-earth oxides Adsorbed carbon-monoxide Ab initio quantum chemical methods and calculations

Thematic Areas: Surfaces, coatings and films Surfaces and interfaces Química Physics, condensed matter Medicina ii Materials chemistry Materiais Interdisciplinar Engenharias iv Engenharias iii Engenharias ii Condensed matter physics Ciências biológicas i Ciências agrárias i Chemistry, physical Astronomia / física

ISSN: 00396028

Author's mail: josep.ricart@urv.cat

Author identifier: 0000-0002-2610-5535

Record's date: 2023-02-22

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Surface Science. 327 (1-2): 59-73

APA: Mejías J; Márquez A; Fernández Sanz J; Fernández-García M; Ricart J; Sousa C; Illas F (1995). On modelling the interaction of CO on the MgO(100) surface. Surface Science, 327(1-2), 59-73. DOI: 10.1016/0039-6028(94)00831-0

Article's DOI: 10.1016/0039-6028(94)00831-0

Entity: Universitat Rovira i Virgili

Journal publication year: 1995

Publication Type: Journal Publications