On the trapping of bjerrum defects in ice Ih: The case of the molecular vacancy

Journal of Physical Chemistry B

Volumn 111, Issue 43, 2007, Pages 12537-12542

  De Koning, Maurice ^a   Antonelli, Alex ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DEFECTS; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; VACANCIES;

BJERRUM DEFECTS; MOLECULAR VACANCY; NUDGED ELASTIC BAND (NEB);

ICE;

EID: 36049001807     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp075661y     Document Type: Article

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