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Acta Crystallographica. Section A, Foundations and Advances|June 30, 2017
A first-prototype multi-determinant X-ray constrained wavefunction approach: the X-ray constrained extremely localized molecular orbital-valence bond methodAlessandro GenoniJournal of Chemical Theory and Computation|November 20, 2015
X-ray Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New TechniqueAlessandro GenoniMolecules (Basel, Switzerland)|January 8, 2023
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large SystemsGiovanni Macetti, Alessandro GenoniThe Journal of Physical Chemistry. A|June 30, 2021
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme ReactionsGiovanni Macetti, Alessandro GenoniJournal of Chemical Theory and Computation|November 26, 2020
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled ClusterGiovanni Macetti, Alessandro GenoniActa Crystallographica. Section A, Foundations and Advances|January 5, 2023
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacksGiovanni Macetti, Alessandro GenoniThe Journal of Physical Chemistry. A|October 20, 2018
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New DatabanksBenjamin Meyer, Alessandro GenoniThe Journal of Physical Chemistry. A|September 21, 2019
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for MacromoleculesGiovanni Macetti, Alessandro GenoniJournal of Chemical Theory and Computation|July 1, 2021
Initial Maximum Overlap Method for Large Systems by the Quantum Mechanics/Extremely Localized Molecular Orbital Embedding TechniqueGiovanni Macetti, Alessandro GenoniActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials|June 18, 2024
Current developments and trends in quantum crystallographyAnna Krawczuk, Alessandro GenoniPageof 10