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Journal of the American Chemical Society|June 12, 2012
Does adsorption at hydroxyapatite surfaces induce peptide folding? Insights from large-scale B3LYP calculationsAlbert Rimola, Massimiliano Aschi, Roberto Orlando, et al.The Journal of Chemical Physics|January 15, 2008
Coupled perturbed Hartree-Fock for periodic systems: the role of symmetry and related computational aspectsMauro Ferrero, Michel Rérat, Roberto Orlando, et al.Journal of Computational Chemistry|February 14, 2008
The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal codeMauro Ferrero, Michel Rérat, Roberto Orlando, et al.Journal of Computational Chemistry|October 20, 2012
Accurate dynamical structure factors from ab initio lattice dynamics: the case of crystalline siliconAlessandro Erba, Matteo Ferrabone, Roberto Orlando, et al.Nanoscale|January 5, 2011
Ab initio modeling of trititanate nanotubesDénes Szieberth, Anna Maria Ferrari, Philippe D'Arco, et al.The Journal of Chemical Physics|March 27, 2012
Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: where it is shown how finite oligomer chains tend to the infinite periodic polymerValentina Lacivita, Michel Rèrat, Roberto Orlando, et al.The Journal of Chemical Physics|December 9, 2009
The calculation of the static first and second susceptibilities of crystalline urea: A comparison of Hartree-Fock and density functional theory results obtained with the periodic coupled perturbed Hartree-Fock/Kohn-Sham schemeMauro Ferrero, Bartolomeo Civalleri, Michel Rérat, et al.Journal of Computational Chemistry|April 6, 2013
Use of ab initio methods for the interpretation of the experimental IR reflectance spectra of crystalline compoundsMarco De La Pierre, Cédric Carteret, Roberto Orlando, et al.Physical Chemistry Chemical Physics : PCCP|November 5, 2015
Origins of contrasting copper coordination geometries in crystalline copper sulfate pentahydrateMichael T Ruggiero, Alessandro Erba, Roberto Orlando, et al.The Journal of Physical Chemistry. B|June 16, 2012
Ab initio calculation of the crystalline structure and IR spectrum of polymers: nylon 6 polymorphsClaudio Quarti, Alberto Milani, Bartolomeo Civalleri, et al.Pageof 4