Pierpaolo Morgante
Affiliations: | State University of New York, Buffalo, Buffalo, NY, United States | ||
| Florida Institute of Technology, Melbourne, FL, United States |
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Parents
Sign in to add mentor| Roberto Peverati | grad student | 2017-2021 | Florida Institute of Technology |
| Jochen Autschbach | post-doc | 2021- | SUNY Buffalo |
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Publications
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| Morgante P, Autschbach J. (2023) Strategies to Calculate Fukui Functions and Applications to Radicals with SOMO-HOMO Inversion. Journal of Chemical Theory and Computation |
| Saju A, Gunasekera PS, Morgante P, et al. (2023) Experimental and Computational Determination of a M-Cl Homolytic Bond Dissociation Free Energy: Mn(III)Cl-Mediated C-H Cleavage and Chlorination. Journal of the American Chemical Society |
| Morgante P, Autschbach J. (2023) Density-Corrected Density Functional Theory for Molecular Properties. The Journal of Physical Chemistry Letters. 4983-4989 |
| 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 |
| Dhbaibi K, Morgante P, Vanthuyne N, et al. (2023) Low-Temperature Luminescence in Organic Helicenes: Singlet versus Triplet State Circularly Polarized Emission. The Journal of Physical Chemistry Letters. 1073-1081 |
| Paul S, Morgante P, MacMillan SN, et al. (2022) Hydrogenative catalysis with three-coordinate zinc complexes supported with PN ligands is enhanced compared to PNP analogs. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Morgante P, Ludowieg HD, Autschbach J. (2022) Comparative Study of Vibrational Raman Optical Activity with Different Time-Dependent Density Functional Approximations: The VROA36 Database. The Journal of Physical Chemistry. A. 126: 2909-2927 |
| 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 |