People
Last update: 28 April 2004

Nadia Rega

Email: nadia@lsdm.dichi.unina.it
Group website: lsdm.dichi.unina.it

Research Assistant, Laboratory of Structure and Dynamics of Molecules,
University of Naples "Federico II"

Investigator, Naples University Federico II
Department of Chemistry

Contributions to Gaussian: QM/MM

Study of dynamics and reactivity of biological systems and surfaces; development of methods for dynamics based on hybrid QM/MM potentials; development of methods for computing solvation effects

E. Langella, N. Rega, R. Improta, O. Crescenzi, V. Barone. "Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model" J. Comp. Chem. 23(6): 650-661 (2002)

N. Rega, M. Cossi, V. Barone. "Improving performance of polarizable continuum model for study of large molecules in solution" J. Comp. Chem. 20(11): 1186-1198 (1999)