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
- 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
- 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: 10 August 2016