Pierpaolo Morgante

发表

Efficient alkylation of cyclic silyl enol ethers by diarylmethylium salts

Giovanni Ghigo, D. Marabello, S. Dughera, 2016 .

Unusual Norrish Type I and Type II Nitro-Acyl Migration Transition State in the Photo-Uncaging of 1-Acyl-7-Nitroindolines Revealed by Computations

N. Nesnas, R. Peverati, Pierpaolo Morgante, 2020 .

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

N. Nesnas, R. Peverati, Pierpaolo Morgante, 2020, Scientific Reports.

CLB18: A new structural database with unusual carbon–carbon long bonds

R. Peverati, Pierpaolo Morgante, 2020, Chemical Physics Letters.

Axial-Chiral Biisoquinoline N, N'-Dioxides Bearing Polar Aromatic C-H Bonds as Catalysts in Sakurai-Hosomi-Denmark Allylation.

R. Peverati, Pierpaolo Morgante, Carlyn Reep, 2018, Organic letters.

Zinc Ammonio-dodecaborates: Synthesis, Lewis Acid Strength, and Reactivity.

D. Powell, R. Peverati, Christopher D. Chouinard, 2022, Inorganic chemistry.

Aerobic CuCl2-Catalyzed Dehydrogenative Cross-Coupling of Tertiary Amines. A Combined Computational and Experimental Study.

Giovanni Ghigo, S. Dughera, Pierpaolo Morgante, 2019, The journal of physical chemistry. A.

Comparative Study of Vibrational Raman Optical Activity with Different Time-Dependent Density Functional Approximations: The VROA36 Database.

J. Autschbach, Pierpaolo Morgante, H. Ludowieg, 2022, The journal of physical chemistry. A.

The Devil in the Details: What Everybody Should Know When Running DFT Calculations

R. Peverati, Pierpaolo Morgante, 2019 .

Steps toward Rationalization of the Enantiomeric Excess of the Sakurai–Hosomi–Denmark Allylation Catalyzed by Biisoquinoline N,N′-Dioxides Using Computations

R. Peverati, Pierpaolo Morgante, N. Takenaka, 2021, Catalysts.

Synthesis of electrophilic N-heterocyclic carbenes based on azahelicene

R. Peverati, Christopher D. Chouinard, B. Captain, 2020 .

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Daniel S. Levine, Run R. Li, K. B. Whaley, 2021, The Journal of chemical physics.

Statistically representative databases for density functional theory via data science.

Roberto Peverati, Pierpaolo Morgante, R. Peverati, 2019, Physical chemistry chemical physics : PCCP.

The devil in the details: A tutorial review on some undervalued aspects of density functional theory calculations

Roberto Peverati, Pierpaolo Morgante, R. Peverati, 2020, International Journal of Quantum Chemistry.

Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of Porphyrins

R. Peverati, Pierpaolo Morgante, 2023, Molecules.

ACCDB: A collection of chemistry databases for broad computational purposes

Roberto Peverati, Pierpaolo Morgante, R. Peverati, 2018, J. Comput. Chem..

Low-Temperature Luminescence in Organic Helicenes: Singlet versus Triplet State Circularly Polarized Emission.

J. Autschbach, N. Vanthuyne, J. Crassous, 2023, The journal of physical chemistry letters.

Density-Corrected Density Functional Theory for Molecular Properties.

J. Autschbach, Pierpaolo Morgante, Pierpaolo Morgante, 2023, The journal of physical chemistry letters.

Experimental and Computational Determination of a M-Cl Homolytic Bond Dissociation Free Energy: Mn(III)Cl-Mediated C-H Cleavage and Chlorination.

J. Autschbach, S. MacMillan, P. Gunasekera, 2023, Journal of the American Chemical Society.

Strategies to Calculate Fukui Functions and Applications to Radicals with SOMO-HOMO Inversion.

J. Autschbach, Pierpaolo Morgante, 2023, Journal of chemical theory and computation.