Giacomo Mandelli

Giacomo Mandelli

Università degli Studi di Milano - Milano / Italy
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5332358
University of Milan
person_outline Giacomo Mandelli's MOST POPULAR ARTICLES
1-) Heavy atom tunneling in organic reactions at coupled cluster potential accuracy with a parallel implementation of anharmonic constant calculations and semiclassical transition …G Mandelli, C Aieta, M CeottoJournal of Chemical Theory and Computation 18 (2), 623-637, 2022122022
2-) The first HyDRA challenge for computational vibrational spectroscopyTL Fischer, M Bödecker, SM Schweer, J Dupont, V Lepère, ...Physical Chemistry Chemical Physics 25 (33), 22089-22102, 202392023
3-) Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: a molecular tale of two citiesR Conte, C Aieta, G Botti, M Cazzaniga, M Gandolfi, C Lanzi, G Mandelli, ...Theoretical Chemistry Accounts 142 (5), 53, 202372023
4-) Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to IpG Mandelli, L Corneo, C AietaThe Journal of Physical Chemistry Letters 14 (44), 9996-10002, 202392023
5-) Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of ThymidineD Moscato, G Mandelli, M Bondanza, F Lipparini, R Conte, B Mennucci, ...Journal of the American Chemical Society 146 (12), 8179-8188, 202472024