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Alessio Petrone
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Gaussian 16, revision A. 03
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc., Wallingford CT, 2016
24531*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
3512017
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
1892016
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
862020
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
722017
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
612017
Gaussian Inc 16, revision A. 03
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc.: Wallingford, CT, 2016
612016
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
592018
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
592014
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
552014
“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
532016
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
522015
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
492019
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
492018
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
482013
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
462016
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
432016
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies
A Petrone, JJ Goings, X Li
Physical Review B 94 (16), 165402, 2016
422016
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
372016
Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: The Zn(II) ion in aqueous solution as a case study
N Rega, G Brancato, A Petrone, P Caruso, V Barone
The Journal of chemical physics 134 (7), 074504, 2011
362011
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