Molecular and reactive adsorption of dimethyl methylphosphonate over (001) and (100) anatase clusters

Computational and Theoretical Chemistry

Volumn 1020, Issue , 2013, Pages 63-71

  Trubitsyn, Dmitry A ^a   Vorontsov, Alexander V ^a  

^a NOVOSIBIRSK STATE UNIVERSITY   (Russian Federation)

Author keywords

Ab initio; Cluster; CWA; Decontamination; DFT; Hydrolysis

Indexed keywords

EID: 84882765143     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.07.031     Document Type: Article

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