MACETTI, GIOVANNI

MACETTI, GIOVANNI  

Dipartimento di Chimica  

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Titolo Data di pubblicazione Autori Tipo File Abstract
Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles 2024 Marco ManentiTommaso VillaGiovanni MacettiAlessandra Silvani Article (author) -
Classical Molecular Dynamics Simulation of Molecular Crystals and Materials: Old Lessons and New Perspectives 2023 Macetti, GiovanniSironi, LucaLo Presti, Leonardo Book Part (author) -
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 2023 Macetti, G. + Article (author) -
Molecular Dynamics Simulations of Small Organic Molecules in Confined Spaces 2023 Luca SironiGiovanni MacettiLeonardo Lo Presti Conference Object -
Milano Chemistry Molecular Simulation (MiCMoS): a versatile tool to study molecular systems in condensed phase 2023 Luca SironiGiovanni MacettiLeonardo Lo Presti Conference Object -
Study of molecular recognition of supercooled benzoic acid with MiCMoS 2023 Luca SironiGiovanni MacettiLeonardo Lo Presti Conference Object -
Symmetry-constrained Monte Carlo ​to predict the experimental crystal structures ​of small organic molecules​ 2023 Giovanni MacettiLuca SironiLeonardo Lo Presti Conference Object -
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 2023 Macetti G. + Article (author) -
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 2023 Macetti G. + Article (author) -
Extending libraries of extremely localized molecular orbitals to metal organic frameworks: A preliminary investigation 2021 Macetti G. + Article (author) -
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 2021 Macetti G. + Book Part (author) -
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 2021 Macetti, G. + Article (author) -
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations 2021 Macetti G. + Article (author) -
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 2021 Macetti G. + Article (author) -
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 2021 Macetti G. + Article (author) -
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 2021 Macetti G. + Article (author) -
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 2021 Macetti G. + Article (author) -
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 2020 Macetti G. + Article (author) -
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 2020 Macetti G. + Article (author) -
Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case 2020 Rizzato, SilviaMacetti, GiovanniTusha, GersLo Presti, Leonardo + Article (author) -