Roman Boča

University of SS Cyril and Methodius, Slovakia 0000-0003-0222-9434

Roman Boča obtained an M.S. degree in physical chemistry in 1973, a Ph.D. degree in physical chemistry in 1977, and a D.S. degree in inorganic chemistry in 1987, all from STU, Bratislava, Slovakia. Boča has worked as an Associate Professor of inorganic chemistry in 1990 and as a Full Professor of inorganic chemistry in 1993 in the same university. His first area of interest includes the quantum chemistry of coordination compounds (1973–1994) (development of new quantum-chemical computation methods): PCILO, quasi-relativistic CNDO/1 and INDO/1, and relativistic CNDO/1 method; application of these method to calculation of the electronic structure of metal complexes and clusters; Jahn-Teller effect in metal complexes; activation of small molecules (dioxygen dinitrogen) on metal complexes. His second area of interest includes the magnetochemistry of coordination compounds (1994–2013): zero-field splitting systems, spin crossover systems, clusters with high spin states, molecule-based magnets, non-Heisenberg exchange interaction, development of the computer code for fitting the magnetic data, magnetism beyond the spin Hamiltonian formalism, magnetoactivity, electroactivity, photoactivity, and biological activity of coordination compounds. His recent publications include the following: R. Boca, Coordination Chemistry Reviews 248 (2004) 757–815, "Zero-Field Splitting in Metal Complexes" and R. Boca, A Handbook of Magnetochemical Formulae, Elsevier, Amsterdam, 2012, 1060 pages.

Biography Updated on 6 August 2013

Scholarly Contributions [Data Provided by scopus]

download