Basile F. E. Curchod
机构: School of Chemistry, University of Bristol
每年引用次数
引用次数
引用: 9,806
H-指数: 40
I10-指数 : 78
出版物: 144
Criegee Intermediate–Alcohol Reactions, A Potential Source of Functionalized Hydroperoxides in the Atmosphere
Max R. McGillen , Basile F.E. Curchod , Rabi Chhantyal-Pun , Joseph M. Beames
ACS earth and space chemistry, 2017, Vol.1(10), pp.664-672 [Peer Reviewed Journal] 1 ( 10) 664 -672
69
2017
Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water
Ivano Tavernelli , Basile F.E. Curchod , Ursula Rothlisberger
Chemical Physics 391 ( 1) 101 -109
117
2011
Electron-nuclear entanglement in the time-dependent molecular wavefunction
Federica Agostini , E.K.U. Gross , Basile F.E. Curchod
Computational and Theoretical Chemistry 1151 99 -106
6
2019
Synthesis and Characterization of a Series of Bis-homoleptic Cycloruthenates with Terdentate Ligands as a Family of Panchromatic Dyes.
Thomas W. Rees , JinFeng Liao , Alessandro Sinopoli , Louise Male
Inorganic Chemistry 56 ( 16) 9903 -9912
3
2017
Reactions of Alkynes with [RuCl(cyclopentadienyl)] Complexes: The Important First Steps
Barnali Dutta , Basile F. E. Curchod , Pablo Campomanes , Euro Solari
Chemistry: A European Journal 16 ( 28) 8400 -8409
36
2010
Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory
M. Micciarelli , B. F. E. Curchod , S. Bonella , C. Altucci
Journal of Physical Chemistry A 121 ( 20) 3909 -3917
5
2017
Theoretical considerations for the simulation of X-ray absorption spectra: The effect of the solvent for a diplatinum complex
Thomas J Penfold , BF Curchod , Ivano Tavernelli , Rafael Abela
1
Nonadiabatic dynamics of complex molecular systems based on time-dependent density fucntional theory
Ursula Rothlisberger , Ivano Tavernelli , Basile F. E. Curchod
245th National Spring Meeting of the American-Chemical-Society (ACS) 245
2013
Valence and conduction bands engineering in halide perovskites for solar cell applica- tions
Negar Ashari Astani , Simone Meloni , Basile F. E. Curchod , Michael Graetzel
arXiv: Materials Science
5
2014
Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane.
Basile F. E. Curchod , Todd J. Martínez , Lea M. Ibele , Yorick Lassmann
Journal of Chemical Physics 154 ( 10) 104110 -104110
14
2021
Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equation.
David R. Glowacki , Basile F. E. Curchod , Robin J. Shannon , Darya Shchepanovska
Journal of Physical Chemistry A 125 ( 16) 3473 -3488
2021
Tuning the oxidation potential of 2-phenylpyridine-based iridium complexes to improve the performance of bluish and white OLEDs
Yafei Wang , Ning Sun , Basile F. E. Curchod , Louise Male
Journal of Materials Chemistry C 4 ( 17) 3738 -3746
20
2016
SSAIMS - Stochastic-Selection Ab Initio Multiple Spawning for efficient nonadiabatic molecular dynamics.
Basile FE Curchod , William J Glover , Todd J Martínez ,
Journal of Physical Chemistry A 124 ( 30) 6133 -6143
5
2020
FIrpic: archetypal blue phosphorescent emitter for electroluminescence
Etienne Baranoff , Basile F. E. Curchod
Dalton Transactions 44 ( 18) 8318 -8329
177
2015
The cause for tremendous acceleration of chloride substitution via base catalysis in the chloro pentaammine cobalt(III) ion.
Basile F. E. Curchod , François P. Rotzinger
Inorganic Chemistry 50 ( 18) 8728 -8740
14
2011
Influence of halogen atoms on a homologous series of bis-cyclometalated iridium(III) complexes
Etienne Baranoff , Basile F. E. Curchod , Filippo Monti , Frédéric Steimer
Inorganic Chemistry 51 ( 2) 799 -811
90
2012
Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes
Etienne Baranoff , Basile F. E. Curchod , Julien Frey , Rosario Scopelliti
Inorganic Chemistry 51 ( 1) 215 -224
128
2012
Derivation of spin-orbit couplings in collinear linear-response TDDFT: A rigorous formulation
Felipe Franco de Carvalho , Basile F. E. Curchod , Thomas J. Penfold , Ivano Tavernelli
The Journal of Chemical Physics 140 ( 14) 144103 -144103
32
2014
Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses
Benoit Mignolet , Basile F. E. Curchod , Todd J. Martínez
Journal of Chemical Physics 145 ( 19) 191104 -191104
19
2016
Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach
Ivano Tavernelli , Basile F. E. Curchod , Ursula Rothlisberger
Physical Review A 81 ( 5) 052508
45
2010
Ivano Tavernelli Todd J Martinez Michael Graetzel Federica Agostini Julien Frey, Ph.D. Tom Penfold Antonio Prlj Benoit Mignolet Jacques-E. Moser Joël Teuscher Jan R. R. Verlet Kay Severin david glowacki Andrew Orr-Ewing E.K.U. Gross Cate S. Anstöter Simon Bennie Aaron Sisto Leticia González Stefano Vanni