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Mostrati risultati da 1 a 20 di 29
Titolo Data di pubblicazione Autore(i) File
Ab initio Dynamics of Rare Thermally Activated Reactions 1-gen-2010 S. a., Beccara; Garberoglio, Giovanni; Faccioli, Pietro; Pederiva, Francesco
Ab initio melting curve of molybdenum by the phase coexistence method 1-gen-2007 Cazorla, C.; Gillan, M. J.; Taioli, Simone; Alfè, D.
All-dimensional H2–CO potential: Validation with fully quantum second virial coefficients 1-gen-2017 Garberoglio, Giovanni; Jankowski, Piotr; Szalewicz, Krzysztof; Harvey, Allan H.
Boltzmann bias grand canonical Monte Carlo. 1-gen-2008 Garberoglio, Giovanni
Collective dynamics of liquid HCl: The density--density and longitudinal current correlations 1-gen-2003 U., Balucani; D., Pasqualini; Garberoglio, Giovanni; R., Vallauri; G., Sutmann
Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations 1-gen-2012 P., Umari; O., Petrenko; Taioli, Simone; M. M., De Souza
Communications: Ab initio dynamics of rare thermally activated reactions 1-gen-2010 A Beccara, S.; Garberoglio, G.; Faccioli, P.; Pederiva, F.
Coupling of electrons to intermolecular phonons in molecular charge transfer dimers: A resonance Raman study 1-gen-1995 D., Pedron; A., Speghini; Mulloni, Viviana; R., Bozio
Dominant folding pathways of a peptide chain from ab initio quantum-mechanical simulations 1-gen-2011 a Beccara, Silvio; Faccioli, Pietro; M., Sega; Pederiva, Francesco; Garberoglio, Giovanni; H., Orland
Erratum: “Path-integral calculation of the third virial coefficient of quantum gases at low temperatures” [J. Chem. Phys. 134, 134106 (2011)] 1-gen-2020 Garberoglio, Giovanni; Harvey, Allan H.
Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study 1-gen-2012 Barbara, Chiavarino; Maria Elisa, Crestoni; Simonetta, Fornarini; Taioli, Simone; Ines, Mancini; Paolo, Tosi
Inhomogeneity effects on the structure and dynamics of water at the surface of a membrane: a computer simulation study. 1-gen-2007 Garberoglio, Giovanni; M., Sega; R., Vallauri
Instantaneous normal mode analysis of correlated cluster motions in hydrogen bonded liquids 1-gen-2002 Garberoglio, Giovanni; R., Vallauri; G., Sutmann
Instantaneous normal mode analysis of liquid methanol 1-gen-2001 Garberoglio, Giovanni; R., Vallauri
Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations. An improved spherical model 1-gen-1982 C., Douketis; Giacinto, Scoles; Sauro, Marchetti; Zen, Mario; A. J., Thakkar
Non-adiabatic ab-initio molecular dynamics of Supersonic Beam epitaxy of Silicon Carbide at room temperature 1-gen-2013 Taioli, Simone; Garberoglio, Giovanni; Stefano, Simonucci; a Beccara, Silvio; Lucrezia, Aversa; Marco, Nardi; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; Dario, Alfè
Path-integral calculation of the fourth virial coefficient of helium isotopes 1-gen-2021 Garberoglio, Giovanni; Harvey, Allan H.
Path-integral calculation of the second virial coefficient including intramolecular flexibility effects 1-gen-2014 Garberoglio, Giovanni; Piotr, Jankowski; Krzysztof, Szalewicz; Allan H., Harvey
Path-integral calculation of the third dielectric virial coefficient of noble gases 1-gen-2021 Garberoglio, Giovanni; Harvey, Allan H.; Jeziorski, Bogumił
Path-integral calculation of the third virial coefficient of quantum gases at low temperatures 1-gen-2011 Garberoglio, Giovanni; Allan H., Harvey
Mostrati risultati da 1 a 20 di 29
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