Author: Jacopo Tomasi
Born September 14th, 1934 in Diano Marina, Italy. Professore Ordinario di Chimica Teorica, Università di Pisa, Italy. Author of about 250 scientific papers and one book
Books Published by ChemTec Publishing:
Handbook of Solvents
Interests: Elaboration of calculation and interpretation methods addressed to the study of properties of isolated or interacting molecules. Among the major methodological achievements: The introduction in quantum chemistry of: A) The molecular electrostatic potential (1969-80), the molecular polarization function (1975-80) and the methods for their use in prediction and interpretation of molecular structure and reactivity B) The intermolecular energy decomposition (1969-83) and the CP corrections to the decomposition terms (1985-92) C) The decomposition of the molecular charge distribution into localized contributions (1969) and the codification of its use (1969-98) D) The ab initio QM models for solvation effects based on apparent surface charges (PCM) (1980-2000) Among the major computational achievements: E) The first full ab initio study of a reaction mechanism, in gas phase (1972) and in solution (1983) F) Efficient codes for the molecular electrostatic potential, its decomposition and analysis (1973-1990) G) The first code for a QM/MM method (1975) H) Codes for the first version of PCM (1980) and for more advanced versions of PCM, enclosed into several packages (GAMESS, Gaussian, Dalton, MOPAC)(1982-2000) The final goal of these studies has been of expressing a unifying methodological framework for the interpretation of phenomena of chemical interest in terms of classical interactions among subunits, complemented and modified by true quantum effects. The applications have regarded a large variety of problems, including biological structures and processes, new drugs, catalysts, spectroscopic phenomena of various nature, reaction mechanisms of thermal and photochemical type. In the last years the activity has been centered on: a) Interpretation of internal and external effects on the properties of molecules and other material systems. b) Intermolecular interactions, chemical reactivity, reaction mechanisms. c) Solvent effects on the structural, dynamical and chemical properties of molecular systems, d) Electric, magnetic and chiral response functions of molecules and larger bodies e) Calculation and interpretation of the physico-chemical properties of solutions and of restricted liquid systems (pores, dispersed systems, liquid surfaces etc.) Publications: more than 250 papers and review articles on international journals, of which 60 in the last four years. More that 5000 quotations of which about 3600 for papers published in the last 20 years.