Björn Olof ROOS
Position: Professor
Address: Department of Theoretical Chemistry, 
University of Lund, Chemical Center
P.O.B 124 S-221 00 Lund, Sweden 
Phone: +46-46-222 8251
Fax: +46-46-222 4543
E-mail: Bjorn.Roos@teokem.lu.se
WWW: http://www.teokem.lu.se/~roos/

Research interests

Ab initio methods in quantum chemistry and their applications to molecular systems. Electron correlation. Multiconfigurational perturbation theory. Energy surfaces for ground and excited states. Electronic spectroscopy.For more information look at Curriculum Vitae.

Projects

Some Recent publications

  1. L. Gagliardi and B. O. Roos: Quantum chemical calculations show that the uranium molecule U2 has a quintuple bond. Nature, 433, 848-851 (2005).
  2. B. O. Roos and P.-Å. Malmqvist: Relativistic quantum chemistry - the multiconfigurational approach, Phys. Chem. Chem. Phys. 6, 2919-2927 (2004).
  3. B. O. Roos: The Ground State Potential for the Chromium Dimer Revisited. Collect. Czech. Chem. Commun. 68, 265 (2003).
  4. B. O. Roos, P.-Å. Malmqvist, and L. Gagliardi: Exploring the actinide-actinide bond: Theoretical studies of the chemical bond in Ac2, Th2, Pa2, and U2, J. Amer. Chem. Soc. 128, 17000 (2006).
  5.  B. O. Roos, A. C. Borin, and L. Gagliardi: Reaching the maximum multiplicity of the covalent chemical bond, Angew. Chemie 46, 1469-1472 (2007).
  6.  M. Brynda, L. Gagliardi, P.-O. Widmark, P. P. Power, and B O. Roos: A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry, Angew. Chemie 45, 3804 (2006).

Lectures

At the dawn of computational chemistry

Doctor Honoris Causa in Valencia

My Family


Hobbies and other interests