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Physical Chemistry Chemical Physics : PCCP|October 16, 2025
Electronic energy levels of aqueous hydroxyl speciesFrancesco Ambrosio, Wei Chen, Alfredo PasquarelloNature Communications|March 22, 2024
Dynamics of the charge transfer to solvent process in aqueous iodideJinggang Lan, Majed Chergui, Alfredo PasquarelloThe Journal of Chemical Physics|December 10, 2017
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid waterJulia Wiktor, Francesco Ambrosio, Alfredo PasquarelloNpj Computational Materials|December 9, 2024
Range-separated hybrid functionals for accurate prediction of band gaps of extended systemsJing Yang, Stefano Falletta, Alfredo PasquarelloPhysical Review Letters|February 3, 2004
Dielectric discontinuity at interfaces in the atomic-scale limit: permittivity of ultrathin oxide films on siliconFeliciano Giustino, Paolo Umari, Alfredo PasquarelloThe Journal of Physical Chemistry Letters|March 30, 2022
One-Shot Approach for Enforcing Piecewise Linearity on Hybrid Functionals: Application to Band Gap PredictionsJing Yang, Stefano Falletta, Alfredo PasquarelloThe Journal of Physical Chemistry. B|July 13, 2016
Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional StudyFrancesco Ambrosio, Giacomo Miceli, Alfredo PasquarelloThe Journal of Physical Chemistry Letters|October 28, 2017
Predictive Determination of Band Gaps of Inorganic Halide PerovskitesJulia Wiktor, Ursula Rothlisberger, Alfredo PasquarelloPhysical Review Letters|October 4, 2005
Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectraLuigi Giacomazzi, P Umari, Alfredo PasquarelloThe Journal of Physical Chemistry Letters|May 31, 2018
Absolute Energy Levels of Liquid WaterFrancesco Ambrosio, Zhendong Guo, Alfredo PasquarelloPageof 25