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Basile F. E. Curchod
Basile F. E. Curchod
School of Chemistry, University of Bristol
Bestätigte E-Mail-Adresse bei bristol.ac.uk - Startseite
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Jahr
Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers
S Mathew, A Yella, P Gao, R Humphry-Baker, BFE Curchod, ...
Nature chemistry 6 (3), 242-247, 2014
50502014
Ab initio nonadiabatic quantum molecular dynamics
BFE Curchod, TJ Martínez
Chemical Reviews 118 (7), 3305-3336, 2018
6822018
Trajectory‐based nonadiabatic dynamics with time‐dependent density functional theory
BFE Curchod, U Rothlisberger, I Tavernelli
ChemPhysChem 14 (7), 1314-1340, 2013
2212013
Acid-induced degradation of phosphorescent dopants for OLEDs and its application to the synthesis of tris-heteroleptic iridium (III) bis-cyclometalated complexes
E Baranoff, BFE Curchod, J Frey, R Scopelliti, F Kessler, I Tavernelli, ...
Inorganic chemistry 51 (1), 215-224, 2012
2212012
FIrpic: archetypal blue phosphorescent emitter for electroluminescence
E Baranoff, BFE Curchod
Dalton Transactions 44, 8318, 2015
2062015
Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells
A Yella, R Humphry-Baker, BFE Curchod, N Ashari Astani, J Teuscher, ...
Chemistry of Materials 25 (13), 2733–2739, 2013
1742013
Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water
I Tavernelli, BFE Curchod, U Rothlisberger
Chemical Physics 391 (1), 101-109, 2011
1412011
Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm–Dancoff approximation and beyond
I Tavernelli, BFE Curchod, A Laktionov, U Rothlisberger
The Journal of chemical physics 133 (19), 2010
1402010
Influence of halogen atoms on a homologous series of bis-cyclometalated iridium (III) complexes
E Baranoff, BFE Curchod, F Monti, F Steimer, G Accorsi, I Tavernelli, ...
Inorganic chemistry 51 (2), 799-811, 2012
1242012
The charge transfer problem in density functional theory calculations of aqueously solvated molecules
CM Isborn, BD Mar, BFE Curchod, I Tavernelli, TJ Martínez
The Journal of Physical Chemistry B 117 (40), 12189-12201, 2013
1182013
Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes
BFE Curchod, C Rauer, P Marquetand, L González, TJ Martínez
The Journal of Chemical Physics 144 (10), 2016
1172016
Structure–property relationships based on Hammett constants in cyclometalated iridium (III) complexes: their application to the design of a fluorine-free FIrPic-like emitter
J Frey, BFE Curchod, R Scopelliti, I Tavernelli, U Rothlisberger, ...
Dalton Transactions 43 (15), 5667-5679, 2014
1132014
Different flavors of nonadiabatic molecular dynamics
F Agostini, BFE Curchod
Wiley Interdisciplinary Reviews: Computational Molecular Science 9, e1417, 2019
1052019
Criegee intermediate–alcohol reactions, a potential source of functionalized hydroperoxides in the atmosphere
MR McGillen, BFE Curchod, R Chhantyal-Pun, JM Beames, N Watson, ...
ACS Earth and Space Chemistry 1 (10), 664-672, 2017
992017
On nonadiabatic coupling vectors in time-dependent density functional theory
I Tavernelli, BFE Curchod, U Rothlisberger
The Journal of chemical physics 131 (19), 2009
992009
Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulations
BFE Curchod, I Tavernelli, U Rothlisberger
Physical Chemistry Chemical Physics 13 (8), 3231-3236, 2011
902011
Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds
A Prlj, BFE Curchod, A Fabrizio, L Floryan, C Corminboeuf
The Journal of Physical Chemistry Letters 6, 13-21, 2015
872015
Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening
S Pathak, LM Ibele, R Boll, C Callegari, A Demidovich, B Erk, R Feifel, ...
Nature chemistry 12 (9), 795-800, 2020
822020
A molecular perspective on Tully models for nonadiabatic dynamics
LM Ibele, BFE Curchod
Physical Chemistry Chemical Physics 22 (27), 15183-15196, 2020
802020
Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems
A Prlj, BFE Curchod, C Corminboeuf
Physical Chemistry Chemical Physics 17 (22), 14719-14730, 2015
802015
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