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Rachel Crespo-Otero
Rachel Crespo-Otero
Associate Professor at University College London
Verified email at qmul.ac.uk - Homepage
Title
Cited by
Cited by
Year
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
R Crespo-Otero, M Barbatti
Chemical Reviews, 2018
5312018
Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran
R Crespo-Otero, M Barbatti
Marco Antonio Chaer Nascimento: A Festschrift from Theoretical Chemistry …, 2014
3102014
Surface hopping dynamics with correlated single-reference methods: 9H-adenine as a case study
F Plasser, R Crespo-Otero, M Pederzoli, J Pittner, H Lischka, M Barbatti
Journal of Chemical Theory and Computation 10 (4), 1395-1405, 2014
2122014
Exploring Potential Energy Surfaces for Aggregation‐Induced Emission from Solution to Crystal
R Crespo-Otero, Q Li, L Blancafort
Chemistry–An Asian Journal 14 (6), 700-714, 2019
1292019
Critical appraisal of excited state nonadiabatic dynamics simulations of 9 H-adenine
M Barbatti, Z Lan, R Crespo-Otero, JJ Szymczak, H Lischka, W Thiel
The Journal of Chemical Physics 137 (22), 22A503, 2012
1212012
NEWTON-X: a package for Newtonian dynamics close to the crossing seam
M Barbatti, G Granucci, M Ruckenbauer, F Plasser, R Crespo-Otero, ...
Dynamics 16 (3), 2007
992007
Modelling a linker mix‐and‐match approach for controlling the optical excitation gaps and band alignment of zeolitic imidazolate frameworks
R Grau‐Crespo, A Aziz, AW Collins, R Crespo‐Otero, NC Hernández, ...
Angewandte Chemie 128 (52), 16246-16250, 2016
752016
NEWTON-X: a package for Newtonian dynamics close to the crossing seam, 2013
M Barbatti, G Granucci, M Ruckenbauer, F Plasser, R Crespo-Otero, ...
Google Scholar There is no corresponding record for this reference, 2013
692013
Excited State Proton Transfer in 2’-Hydroxychalcone derivatives
M Dommett, R Crespo-Otero
Phys. Chem. Chem. Phys, 2017
672017
Surface Hopping Dynamics with DFT Excited States
M Barbatti, R Crespo-Otero
Springer Berlin Heidelberg, 2015
662015
How inter-and intramolecular processes dictate aggregation-induced emission in crystals undergoing excited-state proton transfer
M Dommett, M Rivera, R Crespo-Otero
The Journal of Physical Chemistry Letters 8 (24), 6148-6153, 2017
632017
Ultrafast photoinduced dynamics of 1, 3-cyclohexadiene using XMS-CASPT2 surface hopping
I Polyak, L Hutton, R Crespo-Otero, M Barbatti, PJ Knowles
Journal of Chemical Theory and Computation 15 (7), 3929-3940, 2019
622019
Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer
R Crespo-Otero, N Kungwan, M Barbatti
Chemical Science 6 (10), 5762-5767, 2015
622015
NEWTON-X: A package for Newtonian dynamics close to the crossing seam. Version 2, 2016
M Barbatti, G Granucci, M Ruckenbauer, F Plasser, R Crespo-Otero, ...
Google Scholar There is no corresponding record for this reference, 2020
582020
H-center and V-center defects in hybrid halide perovskites
LD Whalley, R Crespo-Otero, A Walsh
ACS Energy Letters 2 (12), 2713-2714, 2017
572017
Endoplasmic reticulum targeting fluorescent probes to image mobile Zn2+
L Fang, G Trigiante, R Crespo-Otero, MP C. S. Hawes, CR Jones, ...
Chemical Science 10, 10881-10887, 2019
562019
Interfacial states in donor–acceptor organic heterojunctions: computational insights into thiophene-oligomer/fullerene junctions
K Sen, R Crespo-Otero, O Weingart, W Thiel, M Barbatti
Journal of Chemical Theory and Computation 9 (1), 533-542, 2012
532012
Steady and time-resolved photoelectron spectra based on nuclear ensembles
W Arbelo-González, R Crespo-Otero, M Barbatti
Journal of Chemical Theory and Computation, 2016
492016
Interaction and reaction of the phenyl radical with water: A source of OH radicals
A Mardyukov, E Sanchez‐Garcia, R Crespo‐Otero, W Sander
Angewandte Chemie International Edition 48 (26), 4804-4807, 2009
492009
Synthesis of graphene mesosponge via catalytic methane decomposition on magnesium oxide
S Sunahiro, K Nomura, S Goto, K Kanamaru, R Tang, M Yamamoto, ...
Journal of Materials Chemistry A, 2021
462021
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