Carlo Adamo

Professor, L'Ecole Nationale Supérieure de Chimie de Paris
Ph.D., Theoretical Chemistry, University of Napoli-Frederico II

Contributions to Gaussian: Solvation methods; DFT functionals

Research Interests

• Development and validation of new exchange-correlation functionals
• Time-Dependent DFT. Applications involving magnetic properties of
• Organic radical, excited electronic states, properties of transition metal complexes and proton transfer

Selected Publications

S. Griveau, F. Bedioui, C. Adamo, "The oxydation of thiols by cobalt N4-complexes : a correlation between theory and experiments", J. Phys. Chem. A 105 (2001) 11304.

G. Talarico, V. Barone, P.H.M. Budzelaar, C. Adamo, "'Modelling polymerization reaction at aluminium based catalysts: is DFT a reliable tool?", J. Phys. Chem. A 105 (2001) 9014.

C. Adamo, M. Heitzman, F. Meilleur, N. Rega, A. Grand, J. Cadet, V. Barone, "Interplay of intrinsic and environmental effects on the magnetic propoerties of free radicals issuing from H atom addition to cytosine", J. Am. Chem. Soc. 123 (2001) 713.

C. Adamo, M. Cossi, N. Rega, V. Barone, "'New computational strategies for the quantum mechanical study of biological systems in condensed phases"', in Theoretical Biochemistry - Processes and Properties of Biological Systems, Ed. L.A. Eriksson, Elsevier 9 (2001) 467.

C. Adamo and V. Barone. "Toward Reliable Functional Methods Without Adjustable Parameters. the PBE0 model." Journal of Chemical Physics, 110 (1999) 6158.

C. Adamo, V. Barone and G.E. Scuseria. "Accurate Excitation Energies from Time-dependent Density Functional Theory. The Assessment of the PBEO Model." Journal of Chemical Physics, 111 (1999) 2889.

Last update: 28 July 2009