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Umberto Raucci
Umberto Raucci
Italian Institute of Technology, Genoa
在 iit.it 的电子邮件经过验证 - 首页
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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
532019
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
512014
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
402015
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
332018
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
322020
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
322019
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
312022
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
302020
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
282016
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
272020
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
252023
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
252020
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
252016
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
242021
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
212022
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
202014
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
172014
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
162017
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
162016
Exploring the Franck–Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: Excited state electronic …
F Coppola, P Cimino, U Raucci, MG Chiariello, A Petrone, N Rega
Chemical Science 12 (23), 8058-8072, 2021
152021
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