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ACS Applied Materials & Interfaces|March 3, 2018
pH-Dependent Surface Chemistry from First Principles: Application to the BiVO4(010)-Water InterfaceFrancesco Ambrosio, Julia Wiktor, Alfredo PasquarelloThe Journal of Physical Chemistry Letters|April 14, 2017
Electronic Levels of Excess Electrons in Liquid WaterFrancesco Ambrosio, Giacomo Miceli, Alfredo PasquarelloJournal of Chemical Theory and Computation|July 20, 2016
Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis SetsGiacomo Miceli, Jürg Hutter, Alfredo PasquarelloJournal of Chemical Theory and Computation|July 7, 2017
Partial Molar Volumes of Aqua Ions from First PrinciplesJulia Wiktor, Fabien Bruneval, Alfredo PasquarelloThe Journal of Chemical Physics|January 3, 2016
Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionalsFrancesco Ambrosio, Giacomo Miceli, Alfredo PasquarelloThe Journal of Physical Chemistry Letters|July 14, 2020
Low-Frequency Dielectric Response of Tetragonal Perovskite CH3NH3PbI3Ethan Berger, Julia Wiktor, Alfredo PasquarelloJournal of Combinatorial Chemistry|August 19, 2008
An efficient and expeditious synthesis of di- and trisubstituted amino-phenyl and -benzyl derivatives of tetrazole and [1,3,4]oxadiazol-2-oneGwenaelle Desforges, Agnes Bombrun, Anna QuattropaniJournal of Physics. Condensed Matter : an Institute of Physics Journal|June 28, 2011
Vibrational properties of vitreous GeSe2 with the Becke-Lee-Yang-Parr density functionalLuigi Giacomazzi, Carlo Massobrio, Alfredo PasquarelloPhysical Review Letters|February 7, 2003
Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrumP Umari, Xavier Gonze, Alfredo PasquarelloChemical Science|March 18, 2020
Picture of the wet electron: a localized transient state in liquid waterMichele Pizzochero, Francesco Ambrosio, Alfredo PasquarelloPageof 25