Basile F. E. Curchod
Basile F. E. Curchod
Department of Chemistry, Durham University
確認したメール アドレス: - ホームページ
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
Ab initio nonadiabatic quantum molecular dynamics
BFE Curchod, TJ Martínez
Chemical Reviews 118 (7), 3305-3336, 2018
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
Trajectory‐based nonadiabatic dynamics with time‐dependent density functional theory
BFE Curchod, U Rothlisberger, I Tavernelli
ChemPhysChem 14 (7), 1314-1340, 2013
FIrpic: archetypal blue phosphorescent emitter for electroluminescence
E Baranoff, BFE Curchod
Dalton Transactions 44, 8318, 2015
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
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), 194104, 2010
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
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
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
On nonadiabatic coupling vectors in time-dependent density functional theory
I Tavernelli, BFE Curchod, U Rothlisberger
The Journal of chemical physics 131 (19), 196101, 2009
The charge transfer problem in density functional theory calculations of aqueously solvated molecules
CM Isborn, BD Mar, BFE Curchod, I Tavernelli, TJ Martinez
The Journal of Physical Chemistry B 117 (40), 12189-12201, 2013
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
Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach
I Tavernelli, BFE Curchod, U Rothlisberger
Physical Review A 81 (5), 052508, 2010
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), 101102, 2016
Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye‐Sensitized Solar Cells
LE Polander, A Yella, BFE Curchod, N Ashari Astani, J Teuscher, ...
Angewandte Chemie International Edition 52 (333), 8731–8735, 2013
Nanocomposites containing neutral blue emitting cyclometalated iridium (III) emitters for oxygen sensing
M Marín-Suárez, BFE Curchod, I Tavernelli, U Rothlisberger, R Scopelliti, ...
Chemistry of Materials 24 (12), 2330-2338, 2012
On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping
BFE Curchod, I Tavernelli
The Journal of Chemical Physics 138 (18), 184112, 2013
Unravelling the Potential for Dithienopyrrole Sensitizers in Dye-Sensitized Solar Cells
LE Polander, A Yella, J Teuscher, R Humphry-Baker, BFE Curchod, ...
Chemistry of Materials 25 (13), 2642-2648, 2013
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
論文 1–20