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Mostrati risultati da 1 a 8 di 8
Titolo Autore(i) Anno Periodico Editore Tipo File
MD simulation of the Na+-phenylalanine complex in water: competition between cation-pi interaction and aqueous solvation. F. Costanzo; R.G. Della Valle; V. Barone 2005-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
Chemisorption of Barrelene (C8H8) on Si(100) surface from first principles. F. Costanzo; P.L. Silvestrelli; F. Ancilotto 2005-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
Theoretical investigation of the electronic and optical properties of oligothiophenes upon methyl, thiol, and thiomethyl substitutions F. Costanzo; D. Tonelli; G. Scalmani; J. Cornil 2006-01-01 POLYMER - 1.01 Articolo in rivista -
Ab initio molecular dynamics study of ascorbic acid in aqueous solution. F. Costanzo; M. Sulpizi; J. VandeVondele; R.G. Della Valle; M. Sprik 2007-01-01 MOLECULAR PHYSICS - 1.01 Articolo in rivista -
First principles study of alkali-tyrosine complexes: alkali solvation and redox properties. F. Costanzo; M. Sulpizi; R.G. Della Valle; M. Sprik 2008-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
Car-Parrinello MD simulations for the Na+-phenylalanine complex in aqueous solution. F. Costanzo; R.G. Della Valle 2008-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
DFT investigation of oligothiophenes on the Si(001) Surface F. Costanzo; R. G. Della Valle; E. Venuti; A. Brillante; P.L. Silvestrelli 2010-01-01 JOURNAL OF PHYSICAL CHEMISTRY. C - 1.01 Articolo in rivista -
The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode F. Costanzo; R.G. Della Valle; M. Sulpizi; M. Sprik 2011-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Mostrati risultati da 1 a 8 di 8
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