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
Quantum crystallography
S Grabowsky, A Genoni, HB Bürgi
Chemical science 8 (6), 4159-4176, 2017
882017
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
832018
Extremely localized molecular orbitals: theory and applications
M Sironi, A Genoni, M Civera, S Pieraccini, M Ghitti
Theoretical Chemistry Accounts 117 (5), 685-698, 2007
602007
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
582016
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
472016
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
392018
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
372017
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
372014
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
372013
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
372013
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
362017
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
362010
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
352012
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
332014
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
332005
A novel approach to relax extremely localized molecular orbitals: the extremely localized molecular orbital–valence bond method
A Genoni, M Sironi
Theoretical Chemistry Accounts 112 (4), 254-262, 2004
322004
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals
A Genoni, A Fornili, M Sironi
Journal of computational chemistry 26 (8), 827-835, 2005
302005
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
292019
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals
M Sironi, M Ghitti, A Genoni, G Saladino, S Pieraccini
Journal of Molecular Structure: THEOCHEM 898 (1-3), 8-16, 2009
282009
X-ray constrained wave functions: fundamentals and effects of the molecular orbitals localization
A Genoni, B Meyer
Advances in Quantum Chemistry 73, 333-362, 2016
242016
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