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Raffaele Borrelli
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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
1282003
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
1042006
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
932019
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
862012
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
842021
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
732006
Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach
R Borrelli, MF Gelin
The Journal of chemical physics 145 (22), 2016
692016
Franck–Condon factors—computational approaches and recent developments
R Borrelli, A Capobianco, A Peluso
Canadian Journal of Chemistry 91 (7), 495-504, 2013
652013
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
622017
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
622013
The temperature dependence of radiationless transition rates from ab initio computations
R Borrelli, A Peluso
Physical Chemistry Chemical Physics 13 (10), 4420-4426, 2011
612011
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
522008
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
472013
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
462019
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
462014
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
452021
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
452012
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
382009
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
362007
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Articles 1–20