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 | 128 | 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 | 104 | 2006 |

Tunable redox potential, optical properties, and enhanced stability of modified ferrocene-based complexes A Paul, R Borrelli, H Bouyanfif, S Gottis, F Sauvage ACS omega 4 (12), 14780-14789, 2019 | 93 | 2019 |

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 | 86 | 2012 |

Transparent and colorless dye-sensitized solar cells exceeding 75% average visible transmittance W Naim, V Novelli, I Nikolinakos, N Barbero, I Dzeba, F Grifoni, Y Ren, ... Jacs Au 1 (4), 409-426, 2021 | 84 | 2021 |

Catalytic and radiative behaviors of ZrB2-SiC ultrahigh temperature ceramic composites L Scatteia, R Borrelli, G Cosentino, E Beche, JL Sans, M Balat-Pichelin Journal of Spacecraft and rockets 43 (5), 1004-1012, 2006 | 73 | 2006 |

Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach R Borrelli, MF Gelin The Journal of chemical physics 145 (22), 2016 | 69 | 2016 |

Franck–Condon factors—computational approaches and recent developments R Borrelli, A Capobianco, A Peluso Canadian Journal of Chemistry 91 (7), 495-504, 2013 | 65 | 2013 |

Simulation of quantum dynamics of excitonic systems at finite temperature: An efficient method based on thermo field dynamics R Borrelli, MF Gelin Scientific reports 7 (1), 1-9, 2017 | 62 | 2017 |

Computational investigation of the photoinduced homolytic dissociation of water in the pyridine–water complex X Liu, AL Sobolewski, R Borrelli, W Domcke Physical Chemistry Chemical Physics 15 (16), 5957-5966, 2013 | 62 | 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 | 61 | 2011 |

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 | 52 | 2008 |

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 | 47 | 2013 |

Density matrix dynamics in twin-formulation: An efficient methodology based on tensor-train representation of reduced equations of motion R Borrelli The Journal of Chemical Physics 150 (23), 2019 | 46 | 2019 |

Panchromatic symmetrical squaraines: a step forward in the molecular engineering of low cost blue-greenish sensitizers for dye-sensitized solar cells J Park, N Barbero, J Yoon, E Dell'Orto, S Galliano, R Borrelli, JH Yum, ... Physical Chemistry Chemical Physics 16 (44), 24173-24177, 2014 | 46 | 2014 |

Finite temperature quantum dynamics of complex systems: Integrating thermo‐field theories and tensor‐train methods R Borrelli, MF Gelin Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (6), e1539, 2021 | 45 | 2021 |

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 | 45 | 2012 |

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 | 38* | 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 | 38 | 2009 |

Quantum dynamics of electron transfer from bacteriochlorophyll to pheophytin in bacterial reaction centers R Borrelli, M Di Donato, A Peluso Journal of Chemical Theory and Computation 3 (3), 673-680, 2007 | 36 | 2007 |