화학공학소재연구정보센터
검색결과 : 38건
No. Article
1 Exploring Nuclear Photorelaxation of Pyranine in Aqueous Solution: an Integrated Ab-Initio Molecular Dynamics and Time Resolved Vibrational Analysis Approach
Chiariello MG, Rega N
Journal of Physical Chemistry A, 122(11), 2884, 2018
2 "Watching" Polaron Pair Formation from First-Principles Electron -Nuclear Dynamics
Donati G, Lingerfelt DB, Petrone A, Rega N, Li XS
Journal of Physical Chemistry A, 120(37), 7255, 2016
3 Absorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static Approaches
Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
Journal of Physical Chemistry A, 119(21), 5426, 2015
4 Describing Excited State Intramolecular Proton Transfer in Dual Emissive Systems: A Density Functional Theory Based Analysis
Liam W, Savarese M, Rega N, Adamo C, Ciofini I
Journal of Physical Chemistry B, 119(6), 2459, 2015
5 Intrinsic and Dynamical Reaction Pathways of an Excited State Proton Transfer
Raucci U, Savarese M, Adamo C, Ciofini I, Rega N
Journal of Physical Chemistry B, 119(6), 2650, 2015
6 Modeling of charge transfer processes to understand photophysical signatures: The case of Rhodamine 110
Savarese M, Raucci U, Netti PA, Adamo C, Ciofini I, Rega N
Chemical Physics Letters, 610, 148, 2014
7 Understanding THz and IR Signals beneath Time-Resolved Fluorescence from Excited-State Ab Initio Dynamics
Petrone A, Donati G, Caruso P, Rega N
Journal of the American Chemical Society, 136(42), 14866, 2014
8 Exploring the Metric of Excited State Proton Transfer Reactions
Savarese M, Netti PA, Adamo C, Rega N, Ciofini I
Journal of Physical Chemistry B, 117(50), 16165, 2013
9 Fluorescence Lifetimes and Quantum Yields of Rhodamine Derivatives: New Insights from Theory and Experiment
Savarese M, Aliberti A, De Santo I, Battista E, Causa F, Netti PA, Rega N
Journal of Physical Chemistry A, 116(28), 7491, 2012
10 Microsolvation of uracil anion radical in aqueous solution: a QM/MM study
Brancato G, Rega N, Barone V
Chemical Physics Letters, 500(1-3), 104, 2010