High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials.

Fanourgakis, George S; Aprà, Edoardo; Xantheas, Sotiris S

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High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials.

Fanourgakis, George S; Aprà, Edoardo; Xantheas, Sotiris S.

Affiliation

Fanourgakis GS; Chemical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, USA.

J Chem Phys ; 121(6): 2655-63, 2004 Aug 08.

Article in En | MEDLINE | ID: mdl-15281866

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Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2004 Document type: Article Affiliation country: United States Country of publication: United States

Search on Google

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XML

PubMed Links

Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2004 Document type: Article Affiliation country: United States Country of publication: United States