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The Journal of Physical Chemistry. A|March 5, 2021
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular OrbitalsGiovanni Macetti, Erna K Wieduwilt, Alessandro GenoniJournal of Computational Chemistry|December 17, 2013
Halogen bonds with benzene: an assessment of DFT functionalsAlessandra Forni, Stefano Pieraccini, Stefano Rendine, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Solvent effect on halogen bonding: the case of the I⋯O interactionAlessandra Forni, Stefano Rendine, Stefano Pieraccini, et al.Iucrj|January 27, 2025
The nature of halogen bonding: insights from interacting quantum atoms and source function studiesArianna Pisati, Alessandra Forni, Stefano Pieraccini, et al.Physical Chemistry Chemical Physics : PCCP|October 4, 2011
Halogen bonding in ligand-receptor systems in the framework of classical force fieldsStefano Rendine, Stefano Pieraccini, Alessandra Forni, et al.Journal of Computational Chemistry|January 31, 2006
On the suitability of strictly localized orbitals for hybrid QM/MM calculationsArianna Fornili, Yohann Moreau, Maurizio Sironi, et al.The Journal of Physical Chemistry. A|October 11, 2016
Assessment of DFT Functionals for QTAIM Topological Analysis of Halogen Bonds with BenzeneAlessandra Forni, Stefano Pieraccini, Davide Franchini, et al.Biochemistry|April 27, 2010
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitorsAlessandro Genoni, Giulia Morra, Kenneth M Merz, et al.Journal of Chemical Theory and Computation|May 6, 2020
Localized Molecular Orbital-Based Embedding Scheme for Correlated MethodsGiovanni Macetti, Erna K Wieduwilt, Xavier Assfeld, et al.Journal of Chemical Theory and Computation|January 23, 2016
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals TransferabilityBenjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.Pageof 10