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Nadia Rega

University of Naples Federico II

39H指数
126论文数
1.5W被引数
收录论文 48
发表时间
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A Cost-Effective Computational Strategy for the Electronic Layout Characterization of a Second Generation Light-Driven Molecular Rotary Motor in Solution
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-11
err1
errOAAI
errCarfora, Raoul; Coppola, Federico; Cimino, Paola; Petrone, Alessio; Rega, Nadia
err分享
err收藏
Second-Order Mass-Weighting Scheme for Atom-Centered Density Matrix Propagation Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-09
err0
PREAI
errPerrella, Fulvio; Petrone, Alessio; Rega, Nadia
err分享
err收藏
Editorial: Hot topic: excited state processes in biomolecules
errFRONTIERS IN CHEMISTRY
IF4.2
err2024-07-31
err0
errOAAI
errFang, Chong; Rega, Nadia; Biczysko, Malgorzata
err分享
err收藏
Unveiling Stereo-Electronic Effects in Homogeneous Catalysis Integrating Theory and Experiments: the Potential of Dimeric Iron(III) Salen Complexes in Methyl Levulinate Transesterification
errCHEMCATCHEM
IF3.9
err2024-01-17
err4
errOAAI
errPerrella, Fulvio; Langellotti, Vincenzo; Buttarazzi, Edoardo; Cucciolito, Maria Elena; Melchiorre, Massimo; Pinto, Gabriella; Prokopenko, Valeriia; Rega, Nadia; Ruffo, Francesco; Petrone, Alessio; Esposito, Roberto
err分享
err收藏
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-11-22
err2
errOAAI
errButtarazzi, Edoardo; Perrella, Fulvio; Rega, Nadia; Petrone, Alessio
err分享
err收藏
Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivatives光诱导电荷转移态的超快时间演化: 取代的茚并四烯衍生物的实时电子动力学研究
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-09-14
err1
errOAAI
errCrisci, Luigi; Coppola, Federico; Petrone, Alessio; Rega, Nadia
err分享
err收藏
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
errMOLECULES
IF4.6
err2023-04-12
err11
errOAAI
errPerrella, Fulvio; Coppola, Federico; Rega, Nadia; Petrone, Alessio
err分享
err收藏
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-05
err10
errOAAI
errPerrella, Fulvio; Petrone, Alessio; Rega, Nadia
err分享
err收藏
Nature of the Ultrafast Interligands Electron Transfers in Dye- Sensitized Solar Cells
errJACS AU
IF8.7
err2022-12-15
err13
errOAAI
errPerrella, Fulvio; Li, Xiaosong; Petrone, Alessio; Rega, Nadia
err分享
err收藏
Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions
errCHEMICAL PHYSICS REVIEWS
IF6.2
err2022-05-23
err11
errOAAI
errPetrone, Alessio; Perrella, Fulvio; Coppola, Federico; Crisci, Luigi; Donati, Greta; Cimino, Paola; Rega, Nadia
err分享
err收藏
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-02-07
err9
PREAI
errBremond, Eric; Savarese, Marika; Rega, Nadia; Ciofini, Ilaria; Adamo, Carlo
err分享
err收藏
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
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err19
errOAAI
errCoppola, Federico; Cimino, Paola; Raucci, Umberto; Chiariello, Maria Gabriella; Petrone, Alessio; Rega, Nadia
err分享
err收藏
Modeling Excited-State Proton Transfer to Solvent: A Dynamics Study of a Super Photoacid with a Hybrid Implicit/Explicit Solvent Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-10-28
err30
errOAAI
errRaucci, Umberto; Chiariello, Maria Gabriella; Rega, Nadia
err分享
err收藏
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2020-10-27
err30
errOAAI
errCoppola, Federico; Perrella, Fulvio; Petrone, Alessio; Donati, Greta; Rega, Nadia
err分享
err收藏
Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-09-21
err25
errOAAI
errChiariello, Maria Gabriella; Donati, Greta; Rega, Nadia
err分享
err收藏
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents:GFPchromophore in water and methanol solution as case study
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-08-08
err31
PREAI
errRaucci, Umberto; Perrella, Fulvio; Donati, Greta; Zoppi, Maria; Petrone, Alessio; Rega, Nadia
err分享
err收藏
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions基于电子密度的分析建立质子耦合电子转移反应的电子绝热性
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-06-05
err17
errOAAI
errRaucci, Umberto; Chiariello, Maria Gabriella; Coppola, Federico; Perrella, Fulvio; Savarese, Marika; Ciofini, Ilaria; Rega, Nadia
err分享
err收藏
Shedding light on the interaction of polydatin and resveratrol with G-quadruplex and duplex DNA: a biophysical, computational and biological approach
errINTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
IF8.5
err2020-05-01
err30
PREAI
errPlatella, Chiara; Raucci, Umberto; Rega, Nadia; D'Atri, Stefania; Levati, Lauretta; Roviello, Giovanni N.; Fuggetta, Maria Pia; Musumeci, Domenica; Montesarchio, Daniela
err分享
err收藏
Iron(III) Complexes for Highly Efficient and Sustainable Ketalization of Glycerol: A Combined Experimental and Theoretical Study
errACS OMEGA
IF4.3
err2019-01-09
err45
errOAAI
errEsposito, Roberto; Raucci, Umberto; Cucciolito, Maria E.; Di Guida, Rossella; Scamardella, Carmen; Rega, Nadia; Ruffo, Francesco
err分享
err收藏
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation
errBIOPOLYMERS
IF3.2
err2018-08-09
err17
PREAI
errPerrella, Fulvio; Raucci, Umberto; Chiariello, Maria Gabriella; Chino, Marco; Maglio, Ornella; Lombardi, Angela; Rega, Nadia
err分享
err收藏

研究方向

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合作期刊
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Vincenzo Barone
H 指数: 106 · 论文数: 1.2K
M
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J
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H 指数: 94 · 论文数: 685
C
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H 指数: 87 · 论文数: 584
P
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H 指数: 77 · 论文数: 657
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