OH frequency calculations for the hydroxylated MGO(001) surface

Molecular Simulation

Volumn 28, Issue 6-7, 2002, Pages 663-681

  Alfredsson, Maria ^a,b   Hermansson, Kersti ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

Author keywords

Hartree Fock; Hydroxylated surface; MgO

Indexed keywords

ADSORBENTS; HYDROGEN BONDS; HYDROXYLATION; SPECTRUM ANALYSIS; SURFACE CHEMISTRY;

HARTREE-FOCK; HIGHEST-FREQUENCY FUNDAMENTAL BAND; HYDROXYLATED SURFACE; OH FREQUENCY CALCULATIONS;

MAGNESIA;

EID: 0010974346     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020290030198     Document Type: Conference Paper

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