Emanuele Ortoleva

Associate professor di Physical Chemistry at DC UNIMI

Expertise: theoretical modelling

Emanuele Ortoleva is born in Milan in 1946 and received a degree in chemistry in 1970.

Assistant professor of Physical-chemistry in the 1978 began associate professor in 1985 at the all’Università degli Studi di Milano.

He has mainly worked at ab-initio quantum mechanical computations in M.O. ansatz either in programs developing either in applications.

By semiempirical methods has studied chemisorption of gases on transition metal surfaces and has also developed mathematical models of desorption and diffusion of gases in zeolites.

Analyzing ab-initio electron density he studied the electronic properties of medium size organic molecules correlating results with diffrattometric and ESCA measures.

Now is studying organic reaction paths, vibrational spectra and properties derived from frontier orbitals

 

 

SELECTED PUBLICATIONS

1). R. Destro, E. Ortoleva, R. Soave, L. Loconte, L. Lo Presti, Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion,  Phys. Chem. Chem. Phys., 33 (2009) 7181

2). L. Lo Presti, R. Soave, M. Longhi,  E. Ortoleva,Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study, Acta Crystallogr., Sect. B, 66 (2010) 527

3). E. Monza, C. Gatti, L. Lo Presti, E. Ortoleva, Revealing Electron Delocalization through the Source Function, J. Phys. Chem. A, 45 (2011) 12864