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Physical Review Letters|June 1, 2004
Magnetoelastic instability in molecular antiferromagnetic ringsLeonardo Spanu, Alberto ParolaPhysical Review Letters|April 7, 2010
Nature and strength of interlayer binding in graphiteLeonardo Spanu, Sandro Sorella, Giulia GalliThe Journal of Physical Chemistry. B|October 4, 2011
Entropy of liquid water from ab initio molecular dynamicsCui Zhang, Leonardo Spanu, Giulia GalliThe Journal of Physical Chemistry. B|July 17, 2012
Solvation properties of microhydrated sulfate anion clusters: insights from ab initio calculationsQuan Wan, Leonardo Spanu, Giulia GalliPhysical Chemistry Chemical Physics : PCCP|October 7, 2016
Thermodynamics and kinetics of carbon deposits on cobalt: a combined density functional theory and kinetic Monte Carlo studyAntonius P J Jansen, Ravi Agrawal, Leonardo SpanuThe Journal of Chemical Physics|May 2, 2009
Theoretical investigation of methane under pressureLeonardo Spanu, Davide Donadio, Detlef Hohl, et al.Journal of Chemical Theory and Computation|November 24, 2015
Raman Spectra of Liquid Water from Ab Initio Molecular Dynamics: Vibrational Signatures of Charge Fluctuations in the Hydrogen Bond NetworkQuan Wan, Leonardo Spanu, Giulia A Galli, et al.Journal of Chemical Theory and Computation|December 2, 2015
Dissecting the Hydrogen Bond: A Quantum Monte Carlo ApproachFabio Sterpone, Leonardo Spanu, Luca Ferraro, et al.Proceedings of the National Academy of Sciences of the United States of America|March 21, 2013
Dielectric properties of water under extreme conditions and transport of carbonates in the deep EarthDing Pan, Leonardo Spanu, Brandon Harrison, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 10, 2019
Using first principles calculations to interpret XANES experiments: extracting the size-dependence of the (p , T) phase diagram of sub-nanometer Cu clusters in an O<sub>2</sub> environmentNisha Mammen, Leonardo Spanu, Eric C Tyo, et al.Pageof 2