First principles calculations of the adsorption of NH3 on a periodic model of the silica surface

Journal of Physical Chemistry B

Volumn 104, Issue 40, 2000, Pages 9491-9499

  Civalleri, Bartolomeo ^a   Ugliengo, Piero ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; COMPUTER SIMULATION; ELECTRONIC PROPERTIES; INTERFACIAL ENERGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; QUANTUM THEORY; SILICA; STRETCHING;

ANHARMONIC FREQUENCY SHIFT; EDINGTONITE; ISOSTERIC HEAT; MOLAR HEAT; PERIODIC MODEL;

NITROGEN COMPOUNDS;

EID: 0034301254     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002353q     Document Type: Article

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