| Dynamics of radiationless transitions in large molecular systems: A Franck–Condon-based method accounting for displacements and rotations of all the normal coordinates R Borrelli, A Peluso The Journal of chemical physics 119 (16), 8437-8448, 2003 | 129 | 2003 |
| The vibrational progressions of the N→ V electronic transition of ethylene: A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules R Borrelli, A Peluso The Journal of chemical physics 125 (19), 2006 | 103 | 2006 |
| Generating function approach to the calculation of spectral band shapes of free-base chlorin including Duschinsky and Herzberg–Teller effects R Borrelli, A Capobianco, A Peluso The Journal of Physical Chemistry A 116 (40), 9934-9940, 2012 | 91 | 2012 |
| A Novel. eta. 7 Coordination Mode of a Benzyl Ligand in a Cationic Zirconium Complex C Pellecchia, A Immirzi, D Pappalardo, A Peluso Organometallics 13 (10), 3773-3775, 1994 | 89 | 1994 |
| Vibronic coupling in electronic transitions with significant Duschinsky effect A Peluso, F Santoro, G Del Re International journal of quantum chemistry 63 (1), 233-244, 1997 | 80 | 1997 |
| Direct experimental observation of the effect of the base pairing on the oxidation potential of guanine T Caruso, M Carotenuto, E Vasca, A Peluso Journal of the American Chemical Society 127 (43), 15040-15041, 2005 | 75 | 2005 |
| Franck–Condon factors—computational approaches and recent developments R Borrelli, A Capobianco, A Peluso Canadian Journal of Chemistry 91 (7), 495-504, 2013 | 63 | 2013 |
| The temperature dependence of radiationless transition rates from ab initio computations R Borrelli, A Peluso Physical Chemistry Chemical Physics 13 (10), 4420-4426, 2011 | 63 | 2011 |
| Fluorescent salen-type Zn(II) Complexes As Probes for Detecting Hydrogen Sulfide and Its Anion: Bioimaging Applications M Strianese, D Guarnieri, M Lamberti, A Landi, A Peluso, C Pellecchia Inorganic Chemistry 59 (21), 15977-15986, 2020 | 58 | 2020 |
| Elementary electron transfer reactions: from basic concepts to recent computational advances R Borrelli, A Peluso Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (6), 542-559, 2013 | 53 | 2013 |
| A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases R Centore, M Jazbinsek, A Tuzi, A Roviello, A Capobianco, A Peluso CrystEngComm 14 (8), 2645-2653, 2012 | 51 | 2012 |
| The electron photodetachment spectrum of c-C4F8−: A test case for the computation of Franck-Condon factors of highly flexible molecules R Borrelli, A Peluso The Journal of chemical physics 128 (4), 2008 | 51 | 2008 |
| Mechanism of Isoprene and Butadiene Polymerization in the Presence of CpTiCl3−MAO Initiator: A Theoretical Study A Peluso, R Improta, A Zambelli Macromolecules 30 (8), 2219-2227, 1997 | 50 | 1997 |
| On the Mechanism of Asymmetric Epoxidation of Enones Catalyzed by α,α‐L‐Diarylprolinols: A Theoretical Insight A Capobianco, A Russo, A Lattanzi, A Peluso Advanced Synthesis & Catalysis 354 (14‐15), 2789-2796, 2012 | 49 | 2012 |
| Polymerization Mechanism of Conjugated Dienes in the Presence of Ziegler− Natta Type Catalysts: Theoretical Study of Butadiene and Isoprene Polymerization with Cpticl3− Mao … A Peluso, R Improta, A Zambelli Organometallics 19 (4), 411-419, 2000 | 48 | 2000 |
| Franck–Condon factors in curvilinear coordinates: the photoelectron spectrum of ammonia A Capobianco, R Borrelli, C Noce, A Peluso Theoretical Chemistry Accounts 131, 1-10, 2012 | 43 | 2012 |
| The oxidation potential of adenosine and adenosine-thymidine base pair in chloroform solution T Caruso, A Capobianco, A Peluso Journal of the American Chemical Society 129 (49), 15347-15353, 2007 | 42 | 2007 |
| Absorption band shapes of a push–pull dye approaching the cyanine limit: A challenging case for first principle calculations A Capobianco, R Borrelli, A Landi, A Velardo, A Peluso The Journal of Physical Chemistry A 120 (28), 5581-5589, 2016 | 41* | 2016 |
| Photoelectron Spectrum of Ammonia, a Test Case for the Calculation of Franck− Condon Factors in Molecules Undergoing Large Geometrical Displacements upon Photoionization A Peluso, R Borrelli, A Capobianco The Journal of Physical Chemistry A 113 (52), 14831-14837, 2009 | 40 | 2009 |
| Hole hopping rates in organic semiconductors: a second-order cumulant approach A Landi, R Borrelli, A Capobianco, A Velardo, A Peluso Journal of Chemical Theory and Computation 14 (3), 1594-1601, 2018 | 39 | 2018 |
