受强制性开放获取政策约束的文章 - Nadia Rega了解详情
无法在其他位置公开访问的文章：14 篇
“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
强制性开放获取政策： US National Science Foundation, US Department of Energy
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
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： AIRC Foundation for Cancer Research in Italy
Multiresolution continuous wavelet transform for studying coupled solute–solvent vibrations via ab initio molecular dynamics
G Donati, A Petrone, N Rega
Physical Chemistry Chemical Physics 22 (39), 22645-22661, 2020
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： European Commission
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
F Perrella, A Petrone, N Rega
Physical Chemistry Chemical Physics 23 (40), 22885-22896, 2021
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： Government of Italy
Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions
A Petrone, F Perrella, F Coppola, L Crisci, G Donati, P Cimino, N Rega
Chemical Physics Reviews 3 (2), 2022
强制性开放获取政策： Government of Italy
Electronic spectroscopy of a solvatochromic dye in water: comparison of static cluster/implicit and dynamical/explicit solvent models on structures and energies
J Cerezo, A Petrone, FJA Ferrer, G Donati, F Santoro, R Improta, N Rega
Theoretical Chemistry Accounts 135, 1-13, 2016
强制性开放获取政策： Government of Spain, Government of Italy
Excited‐State Proton Transfer and Intramolecular Charge Transfer in 1, 3‐Diketone Molecules
M Savarese, É Brémond, C Adamo, N Rega, I Ciofini
ChemPhysChem 17 (10), 1530-1538, 2016
强制性开放获取政策： European Commission
Structural origin and vibrational fingerprints of the ultrafast excited state proton transfer of the pyranine-acetate complex in aqueous solution
MG Chiariello, G Donati, U Raucci, F Perrella, N Rega
The Journal of Physical Chemistry B 125 (36), 10273-10281, 2021
强制性开放获取政策： Government of Italy
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics
É Brémond, M Savarese, N Rega, I Ciofini, C Adamo
Journal of Chemical Theory and Computation 18 (3), 1501-1511, 2022
强制性开放获取政策： Agence Nationale de la Recherche
可在其他位置公开访问的文章：22 篇
Exploring the metric of excited state proton transfer reactions
M Savarese, PA Netti, C Adamo, N Rega, I Ciofini
The Journal of Physical Chemistry B 117 (50), 16165-16173, 2013
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： Government of Spain, Government of Italy
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
强制性开放获取政策： Government of Italy
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
强制性开放获取政策： Government of Italy
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory
M Savarese, PA Netti, N Rega, C Adamo, I Ciofini
Physical Chemistry Chemical Physics 16 (18), 8661-8666, 2014
强制性开放获取政策： Government of Italy
Interference of polydatin/resveratrol in the ACE2: spike recognition during COVID-19 infection. A focus on their potential mechanism of action through computational and …
F Perrella, F Coppola, A Petrone, C Platella, D Montesarchio, A Stringaro, ...
Biomolecules 11 (7), 1048, 2021
强制性开放获取政策： Government of Italy
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