<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "Theoretical characterization of the (H2O)21 cluster: Application of an n-body decomposition procedure"^^ . "Two low-energy minima of (H2O)21 with very different H-bonding arrangements have been investigated with the B3LYP density functional and RIMP2 methods, as well as with the TIP4P, Dang - Chang, AMOEBA, and TTM2-F force fields. The AMOEBA and TTM2-F model potentials give an energy ordering that agrees with the results of the electronic structure calculations, while the TIP4P and Dang - Chang models give the opposite ordering. Insight into the role of many-body polarization for establishing the relative stability of the two isomers is provided by an n-body decomposition of the energies calculated using the various theoretical methods. © 2006 American Chemical Society."^^ . "2006-09-28" . . "110" . "38" . . "Journal of Physical Chemistry B"^^ . . . "15206106" . . . . . . . . . . . . . "H"^^ . "Liu"^^ . "H Liu"^^ . . "KD"^^ . "Jordan"^^ . "KD Jordan"^^ . . "J"^^ . "Cui"^^ . "J Cui"^^ . . . . . . "Theoretical characterization of the (H2O)21 cluster: Application of an n-body decomposition procedure (Plain Text)"^^ . . . "licence.txt"^^ . . . "Theoretical characterization of the (H2O)21 cluster: Application of an n-body decomposition procedure (Other)"^^ . . . . . . "indexcodes.txt"^^ . . "HTML Summary of #16077 \n\nTheoretical characterization of the (H<inf>2</inf>O)<inf>21</inf> cluster: Application of an n-body decomposition procedure\n\n" . "text/html" . .