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Alessio Petrone
Alessio Petrone
Associate Professor, University of Napoli Federico II
Подтвержден адрес электронной почты в домене unina.it - Главная страница
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Процитировано
Год
Gaussian 16, revision A. 03
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc., Wallingford CT, 2016
30173*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
3792017
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
2072016
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
1112020
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
822017
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
712017
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
662018
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
662014
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
602014
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
582019
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
582015
“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
572016
Gaussian 16, Revision B. 01 (Gaussian Inc., 2016)
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
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54
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
532018
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies
A Petrone, JJ Goings, X Li
Physical Review B 94 (16), 165402, 2016
512016
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
512016
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
492013
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
482016
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
432018
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
412016
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