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Nadia Rega

Prof. Nadia Rega

Dipartimento di Scienze Chimiche, Università degli Studi di Napoli Federico II, ...
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Full Professor of Physical Chemistry and Ph.D. in Chemical Sciences. Author of more than 85 articles and contributions in books (84 papers in ISI Journals), with 31 as h-index and more than 10200 citations (Scopus database 11/05/2021. Contributor and invited contributor in numerous (>20) talks at international meetings and conferences. Research interest: Simulation of steady-state and time-resolved spectroscopy (IR, Raman, UV, XAS, NMR, EPR); Simulation of photo-reactivity of biological systems; ab-initio dynamics and molecular dynamics of condensed phase systems; polarizable continuum solvation models and non-periodic boundary conditions in molecular dynamics; hybrid quantum mechanics/molecular mechanics methods; density functional theory. Official co-author of the Gaussian suite of programs (Gaussian Inc, Wallingford, CT)

Research Keywords & Expertise

Theoretical Chemistry
Time resolved spectros...
solvent effects
DFT and TD-TDF calcula...
photochemistry and pho...

Fingerprints

29%
ab-initio dynamics
16%
solvent effects
6%
Time resolved spectroscopy
5%
Computational spectroscopy
5%
Theoretical Chemistry

Short Biography

Full Professor of Physical Chemistry and Ph.D. in Chemical Sciences. Author of more than 85 articles and contributions in books (84 papers in ISI Journals), with 31 as h-index and more than 10200 citations (Scopus database 11/05/2021. Contributor and invited contributor in numerous (>20) talks at international meetings and conferences. Research interest: Simulation of steady-state and time-resolved spectroscopy (IR, Raman, UV, XAS, NMR, EPR); Simulation of photo-reactivity of biological systems; ab-initio dynamics and molecular dynamics of condensed phase systems; polarizable continuum solvation models and non-periodic boundary conditions in molecular dynamics; hybrid quantum mechanics/molecular mechanics methods; density functional theory. Official co-author of the Gaussian suite of programs (Gaussian Inc, Wallingford, CT)