Roberto Peverati
Affiliations: | Florida Institute of Technology, Melbourne, FL, United States | ||
| University of California, Berkeley, Berkeley, CA, United States | |||
| University of Minnesota, Twin Cities, Minneapolis, MN |
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Parents
Sign in to add mentor| Kim K. Baldridge | grad student | ||
| Martin Head-Gordon | post-doc | ||
| Donald G. Truhlar | post-doc |
Children
Sign in to add trainee| Pierpaolo Morgante | grad student | 2017-2021 | Florida Institute of Technology |
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Publications
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| Morgante P, Peverati R. (2023) Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of Porphyrins. Molecules (Basel, Switzerland). 28 |
| Wehmschulte RJ, Bayliss B, Reed S, et al. (2022) Zinc Ammonio-dodecaborates: Synthesis, Lewis Acid Strength, and Reactivity. Inorganic Chemistry |
| Morgante P, Deluca C, Jones TE, et al. (2021) Steps toward Rationalization of the Enantiomeric Excess of the Sakurai-Hosomi-Denmark Allylation Catalyzed by Biisoquinoline N,N'-Dioxides Using Computations. Catalysts (Basel, Switzerland). 11 |
| Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
| Morgante P, Guruge C, Ouedraogo YP, et al. (2021) Competition between cyclization and unusual Norrish type I and type II nitro-acyl migration pathways in the photouncaging of 1-acyl-7-nitroindoline revealed by computations. Scientific Reports. 11: 1396 |
| Morgante P, Peverati R. (2021) CLB18: A new structural database with unusual carbon–carbon long bonds Chemical Physics Letters. 765: 138281 |
| Aprà E, Bylaska EJ, de Jong WA, et al. (2020) NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102 |
| Morgante P, Captain B, Chouinard CD, et al. (2020) Synthesis of electrophilic N-heterocyclic carbenes based on azahelicene Tetrahedron Letters. 61: 152143 |
| Morgante P, Peverati R. (2020) The devil in the details: A tutorial review on some undervalued aspects of density functional theory calculations International Journal of Quantum Chemistry. 120 |
| Morgante P, Peverati R. (2019) Statistically representative databases for density functional theory via data science. Physical Chemistry Chemical Physics : Pccp. 21: 19092-19103 |