| Iron (III) complexes for highly efficient and sustainable ketalization of glycerol: a combined experimental and theoretical study R Esposito, U Raucci, ME Cucciolito, R Di Guida, C Scamardella, N Rega, ... ACS omega 4 (1), 688-698, 2019 | 52 | 2019 |
| Non-radiative decay paths in rhodamines: new theoretical insights M Savarese, U Raucci, C Adamo, PA Netti, I Ciofini, N Rega Physical Chemistry Chemical Physics 16 (38), 20681-20688, 2014 | 50 | 2014 |
| Intrinsic and dynamical reaction pathways of an excited state proton transfer U Raucci, M Savarese, C Adamo, I Ciofini, N Rega The Journal of Physical Chemistry B 119 (6), 2650-2657, 2015 | 40 | 2015 |
| Turn-on fluorescence detection of protein by molecularly imprinted hydrogels based on supramolecular assembly of peptide multi-functional blocks E Battista, PL Scognamiglio, N Di Luise, U Raucci, G Donati, N Rega, ... Journal of Materials Chemistry B 6 (8), 1207-1215, 2018 | 33 | 2018 |
| Unveiling anharmonic coupling by means of excited state ab initio dynamics: Application to diarylethene photoreactivity MG Chiariello, U Raucci, F Coppola, N Rega Physical Chemistry Chemical Physics 21 (7), 3606-3614, 2019 | 32 | 2019 |
| 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 U Raucci, F Perrella, G Donati, M Zoppi, A Petrone, N Rega Journal of Computational Chemistry 41 (26), 2228-2239, 2020 | 30 | 2020 |
| Shedding light on the interaction of polydatin and resveratrol with G-quadruplex and duplex DNA: A biophysical, computational and biological approach C Platella, U Raucci, N Rega, S D'Atri, L Levati, GN Roviello, MP Fuggetta, ... International journal of biological macromolecules 151, 1163-1172, 2020 | 29 | 2020 |
| Modeling excited-state proton transfer to solvent: A dynamics study of a super photoacid with a hybrid implicit/explicit solvent model U Raucci, MG Chiariello, N Rega Journal of Chemical Theory and Computation 16 (11), 7033-7043, 2020 | 27 | 2020 |
| On the different strength of photoacids P Cimino, U Raucci, G Donati, MG Chiariello, M Schiazza, F Coppola, ... Theoretical Chemistry Accounts 135, 1-12, 2016 | 26 | 2016 |
| A multi-stage single photochrome system for controlled photoswitching responses F Stricker, DM Sanchez, U Raucci, ND Dolinski, MS Zayas, J Meisner, ... Nature Chemistry 14 (8), 942-948, 2022 | 25 | 2022 |
| Putting Photomechanical Switches to Work: An Ab Initio Multiple Spawning Study of Donor–Acceptor Stenhouse Adducts DM Sanchez, U Raucci, KN Ferreras, TJ Martínez The Journal of Physical Chemistry Letters 11 (18), 7901-7907, 2020 | 25 | 2020 |
| A qualitative model to identify non-radiative decay channels: the spiropyran as case study M Savarese, U Raucci, PA Netti, C Adamo, N Rega, I Ciofini Theoretical Chemistry Accounts 135, 1-7, 2016 | 25 | 2016 |
| In silico discovery of multistep chemistry initiated by a conical intersection: the challenging case of donor–acceptor Stenhouse adducts DM Sanchez, U Raucci, TJ Martínez Journal of the American Chemical Society 143 (48), 20015-20021, 2021 | 21 | 2021 |
| Reactant-induced dynamics of lithium imide surfaces during the ammonia decomposition process M Yang, U Raucci, M Parrinello Nature Catalysis 6 (9), 829-836, 2023 | 20 | 2023 |
| Modeling of charge transfer processes to understand photophysical signatures: The case of Rhodamine 110 M Savarese, U Raucci, PA Netti, C Adamo, I Ciofini, N Rega Chemical Physics Letters 610, 148-152, 2014 | 20 | 2014 |
| Comparing the performance of TD‐DFT and SAC‐CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study M Savarese, U Raucci, R Fukuda, C Adamo, M Ehara, N Rega, I Ciofini Journal of Computational Chemistry 38 (14), 1084-1092, 2017 | 16 | 2017 |
| Unveiling the reactivity of a synthetic mimic of the oxygen evolving complex U Raucci, I Ciofini, C Adamo, N Rega The Journal of Physical Chemistry Letters 7 (24), 5015-5021, 2016 | 16 | 2016 |
| Integration of binding peptide selection and multifunctional particles as tool-box for capture of soluble proteins in serum AM Cusano, F Causa, RD Moglie, N Falco, PL Scognamiglio, A Aliberti, ... Journal of The Royal Society Interface 11 (99), 20140718, 2014 | 16 | 2014 |
| Discover, sample, and refine: Exploring chemistry with enhanced sampling techniques U Raucci, V Rizzi, M Parrinello The Journal of Physical Chemistry Letters 13 (6), 1424-1430, 2022 | 15 | 2022 |
| Voice-controlled quantum chemistry U Raucci, A Valentini, E Pieri, H Weir, S Seritan, TJ Martínez Nature Computational Science 1 (1), 42-45, 2021 | 14 | 2021 |
Todd J MartinezStanford UniversityVerified email at stanford.edu
