Basile F. E. Curchod

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Ivano TavernelliIBM Quantum, IBM Research - ZurichDirección de correo verificada de zurich.ibm.com
Todd J MartinezStanford UniversityDirección de correo verificada de stanford.edu
Michael GraetzelProfessor, EPFLDirección de correo verificada de epfl.ch
Federica AgostiniUniversity Paris-SaclayDirección de correo verificada de universite-paris-saclay.fr
Lea M. IbeleUniversity Paris-SaclayDirección de correo verificada de universite-paris-saclay.fr
Antonio PrljRuđer Bošković InstituteDirección de correo verificada de irb.hr
Tom PenfoldChemistry, University of NewcastleDirección de correo verificada de ncl.ac.uk
Julien Frey, Ph.D.ArkemaDirección de correo verificada de arkema.com
Daniel HollasPost-doctoral Research Associate, Bristol UniversityDirección de correo verificada de bristol.ac.uk
Benoit MignoletUniversité of LiègeDirección de correo verificada de ulg.ac.be
Jacques-E. MoserProfessor of physical chemistry, Ecole polytechnique fédérale de LausanneDirección de correo verificada de epfl.ch
Joël TeuscherDirección de correo verificada de joelteuscher.ch
Petr SlavíčekProfessor of Physical Chemistry, University of Chemistry and Technology, PragueDirección de correo verificada de vscht.cz
Andrew Orr-EwingProfessor of Physical Chemistry, University of BristolDirección de correo verificada de bristol.ac.uk
Emanuele MarsiliAirbusDirección de correo verificada de airbus.com
Jan R. R. VerletDurham UniversityDirección de correo verificada de durham.ac.uk
Kay SeverinEcole Polytechnique Fédérale de Lausanne (EPFL)Dirección de correo verificada de epfl.ch
Yorick LassmannPhD Student, Bristol UniversityDirección de correo verificada de bristol.ac.uk
david glowackiInvestigador Dinstinguido, CiTIUSDirección de correo verificada de usc.es
E.K.U. GrossThe Hebrew University of Jerusalem eberhard.gross'at'mail.huji.ac.ilDirección de correo verificada de mail.huji.ac.il

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Basile F. E. Curchod

School of Chemistry, University of Bristol

Dirección de correo verificada de bristol.ac.uk - Página principal

Theoretical chemistry Excited states Nonadiabatic dynamics LR-TDDFT Quantum Dynamics


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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	5042	2014
Ab initio nonadiabatic quantum molecular dynamics BFE Curchod, TJ Martínez Chemical Reviews 118 (7), 3305-3336, 2018	673	2018
Trajectory‐based nonadiabatic dynamics with time‐dependent density functional theory BFE Curchod, U Rothlisberger, I Tavernelli ChemPhysChem 14 (7), 1314-1340, 2013	221	2013
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	220	2012
FIrpic: archetypal blue phosphorescent emitter for electroluminescence E Baranoff, BFE Curchod Dalton Transactions 44, 8318, 2015	206	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	173	2013
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	141	2011
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	140	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	124	2012
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	118	2013
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	115	2016
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	113	2014
Different flavors of nonadiabatic molecular dynamics F Agostini, BFE Curchod Wiley Interdisciplinary Reviews: Computational Molecular Science 9, e1417, 2019	103	2019
On nonadiabatic coupling vectors in time-dependent density functional theory I Tavernelli, BFE Curchod, U Rothlisberger The Journal of chemical physics 131 (19), 2009	99	2009
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	98	2017
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	90	2011
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	86	2015
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	82	2020
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	80	2015
GPU-accelerated state-averaged complete active space self-consistent field interfaced with ab initio multiple spawning unravels the photodynamics of provitamin D3 JW Snyder Jr, BFE Curchod, TJ Martínez The journal of physical chemistry letters 7 (13), 2444-2449, 2016	79	2016

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