Parameterization of halogens for the density-functional tight-binding description of halide hydration

Journal of Chemical Theory and Computation

Volumn 9, Issue 8, 2013, Pages 3321-3332

  Jahangiri, Soran ^a   Dolgonos, Grygoriy ^b   Frauenheim, Thomas ^b   Peslherbe, Gilles H ^a  

^a Dept of Electrical and Computer Engineering   (Canada)

^b UNIVERSITY OF BREMEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84882367962     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300919h     Document Type: Article

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