Sfoglia per Rivista
Dominant folding pathways of a peptide chain from ab initio quantum-mechanical simulations
2011-01-01 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)]
2020-01-01 Garberoglio, Giovanni; Harvey, Allan H.
Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study
2012-01-01 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.
2007-01-01 Garberoglio, Giovanni; M., Sega; R., Vallauri
Instantaneous normal mode analysis of correlated cluster motions in hydrogen bonded liquids
2002-01-01 Garberoglio, Giovanni; R., Vallauri; G., Sutmann
Instantaneous normal mode analysis of liquid methanol
2001-01-01 Garberoglio, Giovanni; R., Vallauri
Intermolecular forces via hybrid Hartree–Fock–SCF plus damped dispersion (HFD) energy calculations. An improved spherical model
1982-01-01 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
2013-01-01 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
2021-01-01 Garberoglio, Giovanni; Harvey, Allan H.
Path-integral calculation of the second virial coefficient including intramolecular flexibility effects
2014-01-01 Garberoglio, Giovanni; Piotr, Jankowski; Krzysztof, Szalewicz; Allan H., Harvey
Path-integral calculation of the third dielectric virial coefficient of noble gases
2021-01-01 Garberoglio, Giovanni; Harvey, Allan H.; Jeziorski, Bogumił
Path-integral calculation of the third virial coefficient of quantum gases at low temperatures
2011-01-01 Garberoglio, Giovanni; Allan H., Harvey
Potential energy surface for interactions between two hydrogen molecules.
2008-01-01 K., Patkowski; W., Cencek; P., Jankowski; K., Szalewicz; J. B., Mehl; Garberoglio, Giovanni; A. H., Harvey
Quantum Diffusive Dynamics of Macromolecular Transitions
2011-01-01 a Beccara, Silvio; Garberoglio, Giovanni; Faccioli, Pietro
Second virial coefficients of H2 and its isotopologues from a six-dimensional potential
2012-01-01 Garberoglio, Giovanni; P., Jankowski; K., Szalewicz; A. H., Harvey
State resolved rotational relaxation of CO in the free jet expansion of He–CO mixtures
1981-01-01 Davide, Bassi; Boschetti, Andrea; Sauro, Marchetti; Giacinto, Scoles; Zen, Mario
Structural and thermodynamic properties of different phases of supercooled liquid water.
2008-01-01 P., Jedlovszky; L. B., Partay; A. P., Bartok; V. P., Voloshin; N. N., Medvedev; Garberoglio, Giovanni; R., Vallauri
Structure of coexisting liquid phases of supercooled water: analogy with ice polymorphs.
2007-01-01 P., Jedlovszky; L. B., Partay; A. P., Bartok; Garberoglio, Giovanni; R., Vallauri
Thermal expansion of silver iodide-silver molybdate glasses at low temperatures
2009-01-01 A., Mandanici; A., Raimondo; M., Cutroni; M. A., Ramos; J. G., Rodrigo; S., Vieira; C., Armellini; Rocca, Francesco
Time correlation functions of simple liquids: A new insight on the underlying dynamical processes
2018-01-01 Garberoglio, Giovanni; Vallauri, Renzo; Bafile, Ubaldo
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