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Semiclassical vibrational spectroscopy with Hessian databasesConte, Riccardo; Gabas, Fabio; Botti, Giacomo; Zhuang, Yu; Ceotto, Michele · The Journal of Chemical Physics · 2019
An effective semiclassical approach to IR spectroscopyMicciarelli, Marco; Gabas, Fabio; Conte, Riccardo; Ceotto, Michele · The Journal of Chemical Physics · 2019
Semiclassical Vibrational Spectroscopy of Biological Molecules using Force FieldsGabas, Fabio; Conte, Riccardo; Ceotto, Michele · Journal of Chemical Theory and Computation · 2020
Protonated Glycine Supramolecular Systems: the need for quantum dynamicsGabas, Fabio; Di Liberto, Giovanni; Conte, Riccardo; Ceotto, Michele · Chemical Science · 2018
Gaussian Expansions of OrbitalsMcKemmish, Laura K.; Gill, Peter M. W. · Journal of Chemical Theory and Computation · 2012
Free Energy Guided SamplingZhou, Ting; Caflisch, Amedeo · Journal of Chemical Theory and Computation · 2012
On Reaction Coordinate OptimalityKrivov, Sergei V. · Journal of Chemical Theory and Computation · 2013
Metadynamics with Adaptive GaussiansBranduardi, Davide; Bussi, Giovanni; Parrinello, Michele · Journal of Chemical Theory and Computation · 2012
Symmetry Conservation in Fukui FunctionsFlores-Moreno, Roberto · Journal of Chemical Theory and Computation · 2010
Transient Polymorphism in NaClGiberti, Federico; Tribello, Gareth A.; Parrinello, Michele · Journal of Chemical Theory and Computation · 2013
Developments in Theoretical ChemistryMcCoy, Anne B.; Scuseria, Gustavo E. · Journal of Chemical Theory and Computation · 2014
Connecting Pauling and Mulliken ElectronegativitiesHerrick, David R. · Journal of Chemical Theory and Computation · 2005