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Journal of Chemical Theory and Computation|December 24, 2016
Efficient Constrained Density Functional Theory Implementation for Simulation of Condensed Phase Electron Transfer ReactionsNico Holmberg, Kari LaasonenPhysical Chemistry Chemical Physics : PCCP|January 15, 2014
The molecular and magnetic structure of carbon-enclosed and partially covered Fe55 particlesStefan Taubert, Kari LaasonenThe Onderstepoort Journal of Veterinary Research|June 1, 1984
Laboratory and field trials with two Bacillus thuringiensis var. israelensis products for Simulium(Diptera: Nematocera) control in a small polluted river in South AfricaM CarBioorganic & Medicinal Chemistry Letters|April 14, 1999
Synthesis of alpha-C(1-->3)-mannopyranoside of N-acetylgalactosamine, a new beta-galactosidase inhibitorC Pasquarello, R Demange, P VogelACS Applied Materials & Interfaces|March 3, 2018
pH-Dependent Surface Chemistry from First Principles: Application to the BiVO<sub>4</sub>(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 CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>Ethan Berger, Julia Wiktor, Alfredo PasquarelloPageof 72,356