Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in strongly H-bonded complexes
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Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in strongly H-bonded complexes

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Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in strongly H-bonded complexes

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Tuñón, Iñaki; Martins Costa, M. T. C.; Millot, C.; Ruiz López, M. F.
This document is a artículo publicadoDate1997

Este documento está disponible también en : http://hdl.handle.net/10550/13035

    Tuñón García de Vicuña, Ignacio ; MARTINS COSTA, M.T.C. ; MILLOT, C. ; RUIZ LÓPEZ, M.F. Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in strongly H-bonded complexes. En: Journal of Chemical Physics, 1997, vol. 106, no. 9
http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000106000009003633000001&idtype=cvips&prog=normal&doi=10.1063/1.473457

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