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Alessandro Genoni
Alessandro Genoni
Laboratory of Theoretical Physics and Chemistry, CNRS & University of Lorraine
Verified email at univ-lorraine.fr - Homepage
Title
Cited by
Cited by
Year
Accurate crystal structures and chemical properties from NoSpherA2
F Kleemiss, OV Dolomanov, M Bodensteiner, N Peyerimhoff, L Midgley, ...
Chemical Science 12 (5), 1675-1692, 2021
1762021
Quantum crystallography
S Grabowsky, A Genoni, HB Bürgi
Chemical science 8 (6), 4159-4176, 2017
1332017
Quantum crystallography: Current developments and future perspectives
A Genoni, L Bučinský, N Claiser, J Contreras‐García, B Dittrich, ...
Chemistry–A European Journal 24 (43), 10881-10905, 2018
1322018
Libraries of extremely localized molecular orbitals. 1. Model molecules approximation and molecular orbitals transferability
B Meyer, B Guillot, MF Ruiz-Lopez, A Genoni
Journal of Chemical Theory and Computation 12 (3), 1052-1067, 2016
772016
Extremely localized molecular orbitals: theory and applications
M Sironi, A Genoni, M Civera, S Pieraccini, M Ghitti
Theoretical Chemistry Accounts 117, 685-698, 2007
712007
Libraries of extremely localized molecular orbitals. 3. Construction and preliminary assessment of the new databanks
B Meyer, A Genoni
The Journal of Physical Chemistry A 122 (45), 8965-8981, 2018
582018
Fast and accurate quantum crystallography: from small to large, from light to heavy
LA Malaspina, EK Wieduwilt, J Bergmann, F Kleemiss, B Meyer, ...
The journal of physical chemistry letters 10 (22), 6973-6982, 2019
572019
Libraries of extremely localized molecular orbitals. 2. Comparison with the pseudoatoms transferability
B Meyer, B Guillot, MF Ruiz-Lopez, C Jelsch, A Genoni
Journal of chemical theory and computation 12 (3), 1068-1081, 2016
572016
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
N Casati, A Genoni, B Meyer, A Krawczuk, P Macchi
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2017
562017
Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?
A Genoni, LHR Dos Santos, B Meyer, P Macchi
IUCrJ 4 (2), 136-146, 2017
542017
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets
C Gao, A Genoni, S Gao, S Jiang, A Soncini, J Overgaard
Nature Chemistry 12 (2), 213-219, 2020
512020
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains
G Morra, A Genoni, G Colombo
Journal of Chemical Theory and Computation 10 (12), 5677-5689, 2014
512014
X-ray constrained extremely localized molecular orbitals: theory and critical assessment of the new technique
A Genoni
Journal of Chemical Theory and Computation 9 (7), 3004-3019, 2013
482013
Molecular recognition and drug-lead identification: what can molecular simulations tell us?
G Morra, A Genoni, MAC Neves, KM Merz Jr, G Colombo
Current medicinal chemistry 17 (1), 25-41, 2010
482010
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data
A Genoni
The Journal of Physical Chemistry Letters 4 (7), 1093-1099, 2013
462013
Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density
LHR Dos Santos, A Genoni, P Macchi
Acta Crystallographica Section A: Foundations and Advances 70 (6), 532-551, 2014
432014
Identification of domains in protein structures from the analysis of intramolecular interactions
A Genoni, G Morra, G Colombo
The Journal of Physical Chemistry B 116 (10), 3331-3343, 2012
432012
Quantum mechanics/extremely localized molecular orbital method: A fully quantum mechanical embedding approach for macromolecules
G Macetti, A Genoni
The Journal of Physical Chemistry A 123 (43), 9420-9428, 2019
382019
Quantum crystallography in the last decade: developments and outlooks
A Genoni, P Macchi
Crystals 10 (6), 473, 2020
372020
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation
A Genoni, M Ghitti, S Pieraccini, M Sironi
Chemical physics letters 415 (4-6), 256-260, 2005
362005
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