Faculty Profiles

Agostino Migliore
Assistant Research Professor of Chemistry
Fax: 
(919) 660-1605

Overview

Education:

Postdoctoral Fellow, School Of Chemistry, Tel Aviv University (Israel) 2009 - 2012

Postdoctoral Researcher, Center For Molecular Modeling, University of Pennsylvania 2007 - 2009

Ph.D., Università Degli Studi di Modena e Reggio Emilia (Italy) 2007

Research Areas:
Theoretical, Physical, Biological, Nanoscience and Materials

Sit, PHL, Migliore, A, Klein, ML, and Marzari, N. "Quantitative Description of Electron Transfer Reactions." (October 15, 2010): 457-487. (Chapter) Full Text

Sit, PHL, Migliore, A, Ho, MH, and Klein, ML. "Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron-Dioxygen Intermediates and Proton Transfer in Superoxide Reductase." Journal of Chemical Theory and Computation 6.9 (September 14, 2010): 2896-2909. Full Text

Vázquez-Mayagoitia, A, Huertas, O, Brancolini, G, Migliore, A, Sumpter, BG, Orozco, M, Javier Luque, F, Felice, RD, and Fuentes-Cabrera, M. "Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine." Journal of Physical Chemistry B 113.43 (October 29, 2009): 14465-14472. Full Text

Migliore, A, Corni, S, Varsano, D, Klein, ML, and DiFelice, R. "First principles effective electronic couplings for hole transfer in natural and size-expanded DNA." Journal of Physical Chemistry B 113.28 (July 16, 2009): 9402-9415. Full Text

Migliore, A, Sit, PHL, and Klein, ML. "Evaluation of electronic coupling in transition-metal systems using DFT: Application to the hexa-aquo ferric-ferrous redox couple." Journal of Chemical Theory and Computation 5.2 (February 10, 2009): 307-323. Full Text

Migliore, A, Corni, S, Di Felice, R, and Molinari, E. "Water-Mediated Electron Transfer between Protein Redox Centers." The Journal of Physical Chemistry B 111.14 (April 2007): 3774-3781. Full Text

Migliore, A, Corni, S, Di Felice, R, and Molinari, E. "Water effects on electron transfer in azurin dimers." Journal of Physical Chemistry B 110.47 (November 30, 2006): 23796-23800. Full Text

Migliore, A, Corni, S, Di Felice, R, and Molinari, E. "First-principles density-functional theory calculations of electron-transfer rates in azurin dimers." The Journal of chemical physics 124.6 (February 2006): 64501-. Full Text

Migliore, A, Corni, S, Di Felice, R, and Molinari, E. "First-principles density-functional theory calculations of electron-transfer rates in azurin dimers." Journal of Chemical Physics 124.6 (January 1, 2006). Full Text

Pages