People
Last update: 2 June 2008
Marco Caricato
Email: marco@gaussian.com
Post-Doc, Yale University and Gaussian
Ph.D., Chemistry, Scuola Normale Superiore of Pisa (Italy)
M.Sc., Chemistry, University of Pisa (Italy)
Contributions to Gaussian: Development and application of Polarizable Continuum Model (PCM) solvation methods.
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- Continuum Solvation Models for time-dependent solvation
- Excited State properties in solution
- Coupled-Cluster Theory
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Caricato, M., Ingrosso, F., Mennucci, B., Sato, H., "Electron Transfer in a Radical Ion Pair: Quantum Calculations of the Solvent Reorganization Energy", J. Phys. Chem. B 110 (2006) 25115
Caricato, M., Andreussi, O., "Semiempirical (ZINDO-PCM) Approach to Predict the Radiative and Nonradiative Decay Rates of a Molecule Close to Metal Particles", J. Phys. Chem. B 110 (2006) 16652
Caricato, M., Mennucci, B., Tomasi, J., "Solvent polarity scales revisited: a ZINDO-PCM study of the solvatochromism of betaine-30", Mol. Phys. 104 (2006) 875
Caricato, M., Mennucci, B., Ingrosso, F., Cammi, R., Corni, S., Scalmani, G., Tomasi, J., "Formation and relaxation of excited state in solution: a new time dependent Polarizable Continuum Model based on time-dependent density functional theory", J. Chem. Phys. 124 (2006) 124520
Caricato, M., Ingrosso, F., Mennucci, B., Tomasi, J., "Time dependent Polarizable Continuum Model: theory and application", J. Chem. Phys. 122 (2005) 154501
Caricato, M., Mennucci, B., Tomasi, J., "Solvent effect on the electronic spectra: an extension of the Polarizable Continuum Model to the ZINDO method", J. Phys. Chem. A 108 (2004) 6248