| Gaussian 16, revision A. 03 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc., Wallingford CT, 2016 | 37891* | 2016 |
| Mixed Cation FAxPEA1–xPbI3 with Enhanced Phase and Ambient Stability toward High‐Performance Perovskite Solar Cells N Li, Z Zhu, CC Chueh, H Liu, B Peng, A Petrone, X Li, L Wang, AKY Jen Advanced Energy Materials 7 (1), 1601307, 2017 | 406 | 2017 |
| Single-crystal and electronic structure of a 1.3 nm indium phosphide nanocluster DC Gary, SE Flowers, W Kaminsky, A Petrone, X Li, BM Cossairt Journal of the American Chemical Society 138 (5), 1510-1513, 2016 | 237 | 2016 |
| The Chronus Quantum software package DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020 | 137 | 2020 |
| Cation exchange induced transformation of InP magic-sized clusters JL Stein, MI Steimle, MW Terban, A Petrone, SJL Billinge, X Li, ... Chemistry of Materials 29 (18), 7984-7992, 2017 | 92 | 2017 |
| Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement DC Gary, A Petrone, X Li, BM Cossairt Chemical Communications 53 (1), 161-164, 2017 | 77 | 2017 |
| Gaussian 16 Revision C. 01, 2016. Gaussian Inc. Wallingford CT MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Google Scholar There is no corresponding record for this reference, 2016 | 72 | 2016 |
| An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables A Petrone, DB Williams-Young, S Sun, TF Stetina, X Li The European Physical Journal B 91 (7), 169, 2018 | 71 | 2018 |
| High-pressure, high-temperature molecular doping of nanodiamond MJ Crane, A Petrone, RA Beck, MB Lim, X Zhou, X Li, RM Stroud, ... Science Advances 5 (5), eaau6073, 2019 | 68 | 2019 |
| Understanding THz and IR signals beneath time-resolved fluorescence from excited-state ab initio dynamics A Petrone, G Donati, P Caruso, N Rega Journal of the American Chemical Society 136 (42), 14866-14874, 2014 | 66 | 2014 |
| From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics A Petrone, DB Lingerfelt, N Rega, X Li Physical Chemistry Chemical Physics 16 (44), 24457-24465, 2014 | 66 | 2014 |
| The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics G Donati, A Petrone, P Caruso, N Rega Chemical science 9 (5), 1126-1135, 2018 | 63 | 2018 |
| “Watching” Polaron Pair Formation from First-Principles Electron–Nuclear Dynamics G Donati, DB Lingerfelt, A Petrone, N Rega, X Li The Journal of Physical Chemistry A 120 (37), 7255-7261, 2016 | 62 | 2016 |
| Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches A Petrone, J Cerezo, FJA Ferrer, G Donati, R Improta, N Rega, F Santoro The Journal of Physical Chemistry A 119 (21), 5426-5438, 2015 | 62 | 2015 |
| Direct ab Initio (Meta-)Surface-Hopping Dynamics DB Lingerfelt, DB Williams-Young, A Petrone, X Li Journal of chemical theory and computation 12 (3), 935-945, 2016 | 55 | 2016 |
| Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies A Petrone, JJ Goings, X Li Physical Review B 94 (16), 165402, 2016 | 53 | 2016 |
| Mapping Vibronic Couplings in a Solar Cell Dye with Polarization-Selective Two-Dimensional Electronic–Vibrational Spectroscopy JD Gaynor, A Petrone, X Li, M Khalil The journal of physical chemistry letters 9 (21), 6289-6295, 2018 | 52 | 2018 |
| Ab Initio Transient Vibrational Spectral Analysis A Petrone, DB Lingerfelt, DB Williams-Young, X Li The journal of physical chemistry letters 7 (22), 4501-4508, 2016 | 50 | 2016 |
| On the optical absorption of the anionic GFP chromophore in vacuum, solution, and protein A Petrone, P Caruso, S Tenuta, N Rega Physical Chemistry Chemical Physics 15 (47), 20536-20544, 2013 | 49 | 2013 |
| On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path A Petrone, P Cimino, G Donati, HP Hratchian, MJ Frisch, N Rega Journal of chemical theory and computation 12 (10), 4925-4933, 2016 | 43 | 2016 |
Nadia RegaProfessor of Physical Chemistry, Department of Chemical Sciences, University of Napoli Federico IIVerified email at unina.it
