Dipartimento di Scienze Agrarie, Forestali e Alimentari

SELECTED PAPERS

1. R. Borrelli, A. Peluso. Quantum dynamics of electronic transitions with gauss-hermite wave packets. Journal of Chemical Physics, 144(11), 2016.

2. R. Borrelli, A. Peluso. Quantum dynamics of radiationless electronic transitions including normal modes displacements and duschinsky rotations: A second-order cumulant approach. Journal of Chemical Theory and Computation, 11(2):415-422, 2015.

3. R. Borrelli, A. Capobianco, A. Landi, A. Peluso. Vibronic couplings and coherent electron transfer in bridged systems. Physical Chemistry Chemical Physics, 17(46):30937-30945, 2015.

4. R. Borrelli, S. Ellena, C. Barolo. Theoretical and experimental determination of the absorp- tion and emission spectra of a prototypical indolenine-based squaraine dye. Physical Chemistry Chemical Physics, 16(6):2390-2398, 2014.

5.  R. Borrelli, A. Peluso. Elementary electron transfer reactions: From basic concepts to recent computational advances. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3(6):542-559, 2013.

6. S.Yu. Grebenshchikov, R. Borrelli. Crossing electronic states in the franck-condon zone of car- bon dioxide: A five-fold closed seam of conical and glancing intersections. Journal of Physical Chemistry Letters, 3(21):3223-3227, 2012.

7. R. Borrelli, A. Capobianco, A. Peluso. Generating function approach to the calculation of spectral band shapes of free-base chlorin including duschinsky and herzberg-teller effects. Journal of Physical Chemistry A, 116(40):9934-9940, 2012.

8. R. Borrelli, A. Peluso. The temperature dependence of radiationless transition rates from ab initio computations. Physical Chemistry Chemical Physics, 13(10):4420-4426, 2011.

9. R. Borrelli, W. Domcke. First-principles study of photoinduced electron-transfer dynamics in a mg-porphyrin-quinone complex. Chemical Physics Letters, 498(4-6):230-234, 2010.

10. R. Borrelli, A. Peluso. Perturbative calculation of franck-condon integrals: New hints for a rational implementation. Journal of Chemical Physics, 129(6), 2008.

11. R. Borrelli, A. Peluso. The vibrational progressions of the nv electronic transition of ethylene: A test case for the computation of franck-condon factors of highly flexible photoexcited molecules. Journal of Chemical Physics, 125(19), 2006.

12. R. Borrelli, A. Peluso. Dynamics of radiationless transitions in large molecular systems: A franck- condon-based method accounting for displacements and rotations of all the normal coordinates. Journal of Chemical Physics, 119(16):8437-8448, 2003.