1. Ab‐initio molecular dynamics and hybrid explicit‐implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study. Issue 26 (8th August 2020) Authors: Raucci, Umberto; Perrella, Fulvio; Donati, Greta; Zoppi, Maria; Petrone, Alessio; Rega, Nadia Journal: Journal of computational chemistry Issue: Volume 41:Issue 26(2020) Page Start: 2228 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Cover Image, Volume 41, Issue 26. Issue 26 (17th August 2020) Authors: Raucci, Umberto; Perrella, Fulvio; Donati, Greta; Zoppi, Maria; Petrone, Alessio; Rega, Nadia Journal: Journal of computational chemistry Issue: Volume 41:Issue 26(2020) Page Start: C2 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4−, [dcbpy = (4, 4′-dicarboxy-2, 2′-bipyridine)], via ab initio molecular dynamics. Issue 40 (18th August 2021) Authors: Perrella, Fulvio; Petrone, Alessio; Rega, Nadia Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 40(2021) Page Start: 22885 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Exploring the Franck–Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure methods to unveil non-radiative pathways. Issue 23 (11th May 2021) Authors: Coppola, Federico; Cimino, Paola; Raucci, Umberto; Chiariello, Maria Gabriella; Petrone, Alessio; Rega, Nadia Journal: Chemical science Issue: Volume 12:Issue 23(2021) Page Start: 8058 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement. Issue 1 (1st December 2016) Authors: Gary, Dylan C.; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M. Journal: Chemical communications Issue: Volume 53:Issue 1(2017) Page Start: 161 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Mixed Cation FAxPEA1–xPbI3 with Enhanced Phase and Ambient Stability toward High‐Performance Perovskite Solar Cells. Issue 1 (26th September 2016) Authors: Li, Nan; Zhu, Zonglong; Chueh, Chu‐Chen; Liu, Hongbin; Peng, Bo; Petrone, Alessio; Li, Xiaosong; Wang, Liduo; Jen, Alex K.‐Y. Journal: Advanced energy materials Issue: Volume 7:Issue 1(2017) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Multiresolution continuous wavelet transform for studying coupled solute–solvent vibrations via ab initio molecular dynamics. Issue 39 (5th October 2020) Authors: Donati, Greta; Petrone, Alessio; Rega, Nadia Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 39(2020) Page Start: 22645 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Switchable light vs. acid-induced transformations of complex framework compounds at room temperature. Issue 9 (21st April 2022) Authors: Kobzev, Maxim S.; Titov, Alexander A.; Borisova, Tatiana N.; Voskressensky, Leonid G.; Varlamov, Alexey V.; D'Alterio, Massimo Christian; Petrone, Alessio; Luque, Rafael; Talarico, Giovanni Journal: Green chemistry Issue: Volume 24:Issue 9(2022) Page Start: 3805 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. The Chronus Quantum software package. (10th September 2019) Authors: Williams‐Young, David B.; Petrone, Alessio; Sun, Shichao; Stetina, Torin F.; Lestrange, Patrick; Hoyer, Chad E.; Nascimento, Daniel R.; Koulias, Lauren; Wildman, Andrew; Kasper, Joseph; Goings, Joshua J.; Ding, Feizhi; DePrince, A. Eugene; Valeev, Edward F.; Li, Xiaosong Journal: Wiley interdisciplinary reviews Issue: Volume 10:Number 2(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics. Issue 5 (17th January 2018) Authors: Donati, Greta; Petrone, Alessio; Caruso, Pasquale; Rega, Nadia Journal: Chemical science Issue: Volume 9:Issue 5(2018) Page Start: 1126 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗