Vibrational frequencies of water adsorbed on (111) and (221) nickel surfaces from first principle calculations

ChemPhysChem

Volumn 7, Issue 6, 2006, Pages 1215-1219

  Murakhtina, Tatiana ^a   Site, Luigi Delle ^a   Sebastiani, Daniel ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

Ab initio calculations; IR spectroscopy; Surface analysis; Transition metals; Water chemistry

Indexed keywords

CHEMICAL ANALYSIS; INFRARED SPECTROSCOPY; LUNAR SURFACE ANALYSIS; MOLECULES; NICKEL; SURFACE ANALYSIS; TRANSITION METALS;

AB INITIO CALCULATIONS; ADSORPTION SITE; COMPARISON OF MEASUREMENTS; FIRST PRINCIPLE CALCULATIONS; NICKEL SURFACES; TRANSITION METAL SURFACES; VIBRATIONAL MODES; WATER CHEMISTRY;

CALCULATIONS;

EID: 33745416077     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200500642     Document Type: Article

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