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Leonardo Belpassi is a researcher at National Research Council (CNR).
He received his Ph.D. degree in Theoretical Chemistry from the University of Perugia (2006).
His primary research activities are the study of relativistic effects in the chemistry of systems containing heavy elements; invention and derivation of theoretical ideas in software; and application to a wide range of chemical problems, including weak interactions and gold based catalysis.
He is an author of the relativistic Dirac-Kohn-Sham density functional theory module of the BERTHA code.



Researcher Leonardo Belpassi
National Research Council
Institute of Molecular Science and Technologies (ISTM-CNR)
c/o University of Perugia
Via Elce di Sotto, 8
06123 - Perugia (Italy)

Phone: +39 075 585 5618

E-mail: leonardo [DOT] belpassi [AT] cnr [DOT] it
Skype: leonardo.belpassi
Web site: www.leonardobelpassi.it

Selected Publications:

  • "13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probes Donation in Gold(I) Complexes" Marchione, D.; Izquierdo, M. A.; Bistoni, G.; Havenith, A.; Macchioni, A.; Zuccaccia, D.; Tarantelli, F.; Belpassi, L.; Chem. Eur.J. 2017,23, 2722-2728. (link)
  • "Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study" Rampino, S.; Storchi, L.; Belpassi, L.; J. Chem. Phys. 2015, 143, 024307. (link)
  • "Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations" Belpassi, L.; Storchi, L.; Quiney, H. M.; Tarantelli, F.; Phys. Chem. Chem. Phys. 2011, 13, 4279-4283. (link)

Permanent Members

paola bn2

Paola Belanzoni
(Associate Professor)
University of Perugia

leonardo bn

Leonardo Belpassi
(Research Scientist)
National Research Council

olivia bn

Olivia Bizzarri
National Research Council

no bn

Stefano Crocchianti
(Research Scientist)
University of Perugia

Cruciani bn2

Gabriele Cruciani 
(Full Professor)
University of Perugia

filippo bn

Filippo De Angelis
(Senior Research Scientist)
National Research Council

noelia bn2

Noelia Faginas Lago
(Research Scientist)
University of Perugia

simona bn

Simona Fantacci
(Senior Research Scientist)
National Research Council

goracci bn

Laura Goracci
(Research Scientist)
University of Perugia

lagana bn2

Antonio Laganà
(Full Professor)

lombardi bn

Andrea Lombardi
(Research Scientist)
University of Perugia

edoardo bn2

Edoardo Mosconi
(Research Scientist)
National Research Council

nunzi bn

Francesca Nunzi
(Research Scientist)
University of Perugia

tarantelli bn2

Francesco Tarantelli
(Full Professor)
University of Perugia

sara bn2

Sara Tortorella
(Research Scientist)
Molecular Horizon

vitillaro bn

Giuseppe Vitillaro
(Senior Technologist)
National Research Council


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April 23, 2018 (3,15 pm)

Seminars, Dr. Sergei Manzhos
"Computational materials modelling and design for next generation solar cell & metal-ion battery technologies" flier

July 2 - 5, 2018

18th International Conference on Computational Science and Its Applications (ICCSA 2018).
Workshop: Theoretical and Computational Chemistry and its Applications (TCCA).
Paper submission deadline extended to March 15, 2018

3-29 Sept 2018

Intensive Course TCCM Master in Perugia, Italy.

30 Sept – 2 Oct 2018

4th International Conference on Perovskite Solar Cells and Optoelectronics (PSCO-2018) in Lausanne, Switzerland.