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DFT and local-MP2 periodic study of the structure and stability of two proton-ordered polymorphs of ice.
Erba, Alessandro; Casassa, Silvia; Maschio, Lorenzo; Pisani, Cesare.
Affiliation
  • Erba A; Dipartimento di Chimica IFM and Centre of Excellence Nanostructured Interfaces and Surfaces, Universita di Torino, via P. Giuria 5, I-10125 Torino, Italy.
J Phys Chem B ; 113(8): 2347-54, 2009 Feb 26.
Article in En | MEDLINE | ID: mdl-19199689
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2009 Document type: Article Affiliation country: Italy Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem B Journal subject: QUIMICA Year: 2009 Document type: Article Affiliation country: Italy Country of publication: United States