Aqueous halide potentials from force matching of Car-Parrinello data

Computational and Theoretical Chemistry

Volumn 982, Issue , 2012, Pages 58-65

  Spångberg, Daniel ^a   Guàrdia, Elvira ^b   Masia, Marco ^c  

^a UPPSALA UNIVERSITY   (Sweden)

^b UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^c UNIVERSITY OF SASSARI   (Italy)

Author keywords

Aqueous solution; Car parrinello molecular dynamics; Force field; Forcematching; Halide; Water

Indexed keywords

EID: 84856344554     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.12.011     Document Type: Article

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