Project related publications:

  1. A. Bende and V. Toşa: "Modeling laser induced molecule excitation using real-time time-dependent density functional theory: Application to 5- and 6-benzyluracil", Physical Chemistry Chemical Physics, 17, 5861 – 5871 (2014). DOI

  2. A. Bende: "Low-lying excited-states and relaxation pathways of acetophenone", AIP Conf. Proc., 1565, 24 - 28 (2013). DOI

  3. A. Csehi, A. Bende, G. J. Halász, A. Vibók, A. Das, D. Mukhopadhyayd, S. Mukherjee, S. Adhikarie, and M. Baer: "Dressed Adiabatic and Diabatic Potentials for the Renner-Teller/ Jahn-Teller F + H2 System", Journal of Physical Chemistry A, 117(36), 8497 – 8505 (2013). DOI

  4. M. Micciarelli, C. Altucci, B. Della Ventura, R. Velotta, V. Toşa, A. B. Gónzalez Pérez, M. Pérez Rodríguez, Á. R. de Lera, and A. Bende: "Low-lying excited-states of 5-benzyluracil", Physical Chemistry Chemical Physics, 15, 7161 – 7173 (2013). DOI

  5. A. Csehi, A. Bende, G. J. Halász, A. Vibók, A. Das, D. Mukhopadhyay and M. Baer: "A tri-atomic Renner-Teller system entangled with Jahn-Teller conical intersections", Journal of Chemical Physics, 138(02), Article №: 024113 (2013). DOI

  6. A. Bende and V. Toşa: "The role of the internal rotation on the 5-benzyluracil excited states", Conference Proceedings of 5th Romanian Tier 2 Federation Grid, Cloud & High Performance Computing in Science, RO-LGC 2012, 25 – 27 October 2012, page: 15 – 18. ISBN: 978-973-662-701-1. DOI

Conference participation:

  1. Molecular Modeling in Chemistry and Biochemistry (MOLMOD 2014); 13 – 15 November 2014 in Cluj Napoca, Romania Oral presentation: A. Bende: "Higher level singlet-triplet excited state relaxation dynamic pathways for acetophenone and benzophenone molecular systems." PDF

  2. 50th Symposium on Theoretical Chemistry – Quantum Chemistry and Chemical Dynamics – STC 2014; 14 – 19 September 2014, Vienna, Austria. Poster presentation: A. Bende: "Higher level singlet-triplet excited state relaxation dynamic pathways for acetophenone and benzophenone molecular systems." PDF

  3. International Conference on Processes in Isotopes and Molecules (PIM 2013); 25 – 27 September 2013 in Cluj Napoca, Romania Oral presentation: A. Bende: "Low-lying excited-states and relaxation pathways of acetophenone." PDF

  4. 9th European Conference of Computational Chemistry - EUCO-CC9, 01 – 05 September, 2013, Sopron, Hungary. Poster presentation: A. Bende: "Low-lying excited-states of benzyluracil isomers." PDF

  5. 5th Romanian Tier 2 Federation Grid, Cloud & High Performance Computing in Science, RO-LGC 2012, 25 – 27 October 2012, Cluj-Napoca, Romania. Oral presentation: A. Bende and V. Toşa: "Modeling Laser-induced dynamics in benzyluracil. PDF "

  6. NIDays 2012 – Bucureşti, Romania - October 30. Conference for System Graphics Development.

  7. Central European Symposium on Theoretical Chemistry, 2 – 5 September 2012, Mariapfarr, Austria. Poster presentation: A. Bende: "Low-lying excited-states of 5-benzyluracil". PDF

  8. Advanced Methods and Applications in Quantum Chemistry (AMAQC2012), 26-30 March 2012, University of Stuttgart, Germany. Poster presentation: A. Bende: "Modeling Laser-induced dynamics in benzyluracil". PDF

  9. 4th annual meeting of the COST Action CUSPFEL, 21-23 March 2012, ?Babes-Bolyai? University, Cluj-Napoca, Romania. Poster presentation: A. Bende and V. Toşa: "Modeling Laser-induced dynamics in benzyluracil". PDF