GENONI, ALESSANDRO
GENONI, ALESSANDRO
DIPARTIMENTO DI CHIMICA, MATERIALI E INGEGNERIA CHIMICA "GIULIO NATTA"
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method
2017-01-01 Genoni, A.
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction
2008-01-01 Genoni, A.; Merz, K. M.; Sironi, M.
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method
2004-01-01 Genoni, A.; Sironi, M.
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation
2005-01-01 Genoni, A.; Ghitti, M.; Pieraccini, S.; Sironi, M.
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach
2021-01-01 Wieduwilt, E. K.; Boisson, J. -C.; Terraneo, G.; Henon, E.; Genoni, A.
A valence bond description of the bromine halogen bond
2019-01-01 Franchini, D.; Genoni, A.; Dapiaggi, F.; Pieraccini, S.; Sironi, M.
Accurate crystal structures and chemical properties from NoSpherA2
2021-01-01 Kleemiss, F.; Dolomanov, O. V.; Bodensteiner, M.; Peyerimhoff, N.; Midgley, L.; Bourhis, L. J.; Genoni, A.; Malaspina, L. A.; Jayatilaka, D.; Spencer, J. L.; White, F.; Grundkotter-Stock, B.; Steinhauer, S.; Lentz, D.; Puschmann, H.; Grabowsky, S.
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins
2007-01-01 Pieraccini, S.; Burgi, L.; Genoni, A.; Benedusi, A.; Sironi, M.
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions
2021-01-01 Wieduwilt, E. K.; Macetti, G.; Genoni, A.
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography
2019-01-01 Fugel, M.; Ponomarenko, M. V.; Hesse, M. F.; Malaspina, L. A.; Kleemiss, F.; Sugimoto, K.; Genoni, A.; Roschenthaler, G. -V.; Grabowsky, S.
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors
2010-01-01 Genoni, A.; Morra, G.; Merz, Jr. K. M.; Colombo, G.
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations
2024-01-01 Genoni, A.; Martin Pendas, Á.
Current developments and trends in quantum crystallography
2024-01-01 Krawczuk, Anna; Genoni, Alessandro
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals
2009-01-01 Sironi, M.; Ghitti, M.; Genoni, A.; Saladino, G.; Pieraccini, S.
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit
2021-01-01 Zein, S. A.; Bordage, M. -C.; Francis, Z.; Macetti, G.; Genoni, A.; Dal Cappello, C.; Shin, W. -G.; Incerti, S.
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques
2023-01-01 Genoni, A.
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
2023-01-01 Wieduwilt, E. K.; Boto, R. A.; Macetti, G.; Laplaza, R.; Contreras-Garcia, J.; Genoni, A.
Extremely localized molecular orbitals: Theory and applications
2007-01-01 Sironi, M.; Genoni, A.; Civera, M.; Pieraccini, S.; Ghitti, M.
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy
2019-01-01 Malaspina, L. A.; Wieduwilt, E. K.; Bergmann, J.; Kleemiss, F.; Meyer, B.; Ruiz-Lopez, M. F.; Pal, R.; Hupf, E.; Beckmann, J.; Piltz, R. O.; Edwards, A. J.; Grabowsky, S.; Genoni, A.
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12
2020-01-01 Maiolo, D.; Pizzi, A.; Gori, A.; Gazzera, L.; Demitri, N.; Genoni, A.; Baggi, F.; Moda, F.; Terraneo, G; Baldelli Bombelli, F.; Metrangolo, P.; Resnati, G.