A theoretical analysis of NH3 adsorption on TiO2

Surface Science

Volumn 365, Issue 3, 1996, Pages 649-661

  Markovits, Alexis ^a   Ahdjoudj, Jamila ^a   Minot, Christian ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

Ab initio quantum chemical methods and calculations; Ammonia; Titanium oxide

Indexed keywords

AMMONIA; CALCULATIONS; CHEMISORPTION; DISSOCIATION; HYDROGEN BONDS; HYDROXYLATION; INFRARED SPECTROSCOPY; MATHEMATICAL TECHNIQUES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SURFACE PHENOMENA; TITANIUM OXIDES;

AB INITIO QUANTUM CHEMICAL METHODS; COADSORPTION; HYDROXYL GROUP; PERIODIC HARTREE-FOCK CALCULATIONS;

ADSORPTION;

EID: 0030269637     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00753-4     Document Type: Article

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