MACETTI, GIOVANNI
MACETTI, GIOVANNI
Dipartimento di Chimica
Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles
2024 M. Manenti, T. Villa, G. Macetti, A. Silvani
Classical Molecular Dynamics Simulation of Molecular Crystals and Materials: Old Lessons and New Perspectives
2023 G. Macetti, L. Sironi, L. Lo Presti
Molecular Dynamics Simulations of Small Organic Molecules in Confined Spaces
2023 L. Sironi, G. Macetti, L. LO PRESTI
Milano Chemistry Molecular Simulation (MiCMoS): a versatile tool to study molecular systems in condensed phase
2023 L. Sironi, G. Macetti, L. LO PRESTI
Study of molecular recognition of supercooled benzoic acid with MiCMoS
2023 L. Sironi, G. Macetti, L. LO PRESTI
Symmetry-constrained Monte Carlo to predict the experimental crystal structures of small organic molecules
2023 G. Macetti, L. Sironi, L. LO PRESTI
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems
2023 G. Macetti, A. Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
2023 E.K. Wieduwilt, R.A. Boto, G. Macetti, R. Laplaza, J. Contreras-Garcia, A. Genoni
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks
2023 G. Macetti, A. Genoni
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation
2021 G. Macetti, A. Genoni
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique
2021 G. Macetti, A. Genoni
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations
2021 G. Macetti, P. Macchi, A. Genoni
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit
2021 S.A. Zein, M.-. Bordage, Z. Francis, G. Macetti, A. Genoni, C. Dal Cappello, W.-. Shin, S. Incerti
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions
2021 G. Macetti, A. Genoni
Extending libraries of extremely localized molecular orbitals to metal organic frameworks: A preliminary investigation
2021 E.K. Wieduwilt, G. Macetti, R. Scatena, P. Macchi, A. Genoni
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 E.K. Wieduwilt, G. Macetti, A. Genoni
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals
2021 G. Macetti, E.K. Wieduwilt, A. Genoni
Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)2Br2]2 Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case
2020 G. Finocchio, S. Rizzato, G. Macetti, G. Tusha, L. Lo Presti
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods
2020 G. Macetti, E.K. Wieduwilt, X. Assfeld, A. Genoni
Spin Density Topology
2020 G. Bruno, G. Macetti, L. Lo Presti, C. Gatti