RESEARCH INTERESTS

Numerical methods of quantum chemistry (ab initio and simulations);
Photophysics and photochemistry of DNA bases;
Ab initio calculations on excited states of small molecules and clusters;

PhD THESIS

Ab initio studies of photophysics of adenine and thymine molecules and of their dimer

PUBLICATIONS

S.Perun, J.Tatchen and C.M.Marian, "Singlet and Triplet Excited States and Intersystem Crossing in Free-Base Porphyrin: TDDFT and DFT/MRCI Study", ChemPhysChem, 9 (2008) 282

S.Perun, A. L. Sobolewski and W.Domcke, "Conical Intersections In Thymine", J. Phys. Chem. A.,110(2006) 13238

S.Perun, A. L. Sobolewski and W.Domcke, "Role of Electron-Driven Proton-Transfer Processes in the Excited-State Deactivation of the Adenine-Thymine Base Pair", J. Phys. Chem. A.,110 (2006) 9031

S.Perun, A. L. Sobolewski and W.Domcke, "Ab initio studies on photophysics of 2-Aminopurine", Chem. Phys., 104 (2006) 1113

S.Perun, A. L. Sobolewski and W.Domcke, "Ab initio study on the photophysics of adenine", J. Am. Chem. Soc., 127 (2005) 6257

S.Perun, A. L. Sobolewski and W.Domcke, "Photostability of 9H-adenine: mechanisms of the radiationless deactivation of the lowest excited singlet states", Chem. Phys., 313 (2005) 107

C. Dedonder-Lardeux, Ch. Jouvet, S. Perun, and A. L. Sobolewski, "External electric field effect on excited states of indole: ab initio and molecular dynamics study", Phys. Chem. Chem. Phys., 5 (2003) 5118

PRESENTATIONS

"Ab initio studies of the photophysics of adenine and thymine molecules and of their dimer",Heinrich-Heine-University Duesseldorf, Institute of Theoretical and Computational Chemistry, February 2006 (oral presentation)

"Ab initio investigation of the radiationless decay pathways of the lowest excited states of 9H-adenine and its isomers", Biological Molecules in the Gas Phase, Gordon Research Conference, Bates College, USA, July 2005 (poster presentation)

"Photostability of the adenine-thymine base pair: ab initio studies", Femtochemistry VII, Washington DC, USA, July 2005 (poster presentation)

"On the mechanisms of radiationless relaxation in adenine", Novel Experimental Techniques and Instrumentation Workshop, Lesko, Poland, June 2005 (oral presentation)

"On the mechanisms of photostability in adenine", Lehrstuhl für Theoretische Chemie Technische Universität München, November 2004 (oral presentation)

"On the mechanisms of radiationless relaxation in adenine: ab initio study'', XXVII European Congress on Molecular Spectroscopy, Krakow, Poland, September 2004 (poster presentation)

"On the role of the proton coupled electron transfer reaction in photostabilisation of DNA bases", Photoinduced Charge (Electron and Proton) Migration Workshop, Wdzydze, Poland, June 2004 (oral presentation)

"Theoretical study of the structure and spectroscopy of hydrated clusters of protic solvents", XVth International Conference on Horizons in Hydrogen Bond Research, Berlin, September 2003 (poster presentation)

STAYS ABROAD

Postdoctoral Fellow at the Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Duesseldorf, Germany, in the group of Prof. Christel Marian, 2006

Short term stay at the Department of Theoretical Chemistry, Technical University of Munich, Germany, in the group of Prof. Wolfgang Domcke, November 2004

OTHERS

Participation in the European Summerschool in Quantum Chemistry (ESQC-05), organized by Prof. Bjorn Roos and Lund University, September 2005