Rachel Crespo-Otero

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	All	Since 2016
Citations	1953	1329
h-index	26	20
i10-index	53	33

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200620072008200920102011201220132014201520162017201820192020202111 19 41 48 54 72 46 88 139 90 149 178 231 316 359 87

Co-authors

Mario BarbattiAix-Marseille UniversityVerified email at univ-amu.fr
Luis Alberto Montero CabreraProfessor of Chemistry, Universidad de La HabanaVerified email at fq.uh.cu
Reynier SuardíazSenior Research Fellow at the University of PortsmouthVerified email at port.ac.uk
Elsa Sanchez GarciaProfessor Computational Biochemistry, University of Duisburg-EssenVerified email at uni-due.de
Hans LischkaProfessor of Chemistry, Texas Tech UniversityVerified email at ttu.edu
Carlos S. PerezProfessor of Physical Chemistry, Havana UniversityVerified email at fq.uh.cu
Felix PlasserLoughborough UniversityVerified email at lboro.ac.uk
Aron WalshDepartment of Materials, Imperial College London; Yonsei UniversityVerified email at imperial.ac.uk
Michael DommettQueen Mary University of LondonVerified email at qmul.ac.uk
Miguel RiveraResearch Assistant, Imperial CollegeVerified email at qmul.ac.uk
Yovani Marrero-PonceUniversidad San Francisco de Quito (USFQ), Quito, Ecuador; Fundación Universitaria Tecnológico deVerified email at uclv.edu.cu
Yoanna María Álvarez GinarteProfesora Facultad de Química, Universidad de La HabanaVerified email at quimica.uh.cu
Maurizio PersicoProfessor of Physical Chemistry - University of PisaVerified email at unipi.it
Ana Lilian Montero-AlejoFacultad de ciencias (FCNMM), Universidad Tecnológica Metropolitana, ChileVerified email at utem.cl
Le FangPhD student of Chemistry, Queen Mary University of LondonVerified email at qmul.ac.uk
Michael WatkinsonProfessor of Synthetic Chemistry, Keele UniversityVerified email at keele.ac.uk
Jaroslaw J SzymczakNon-affiliatedVerified email at rd.nestle.com
Ricardo Grau-CrespoAssociate Professor of Materials Theory, Department of Chemistry, University of Reading, UK.Verified email at reading.ac.uk
Said Hamad GómezAssociate Professor in Physical Chemistry, Universidad Pablo de Olavide, SevilleVerified email at upo.es
Alex AzizCIC energiGUNEVerified email at cicenergigune.com

Rachel Crespo-Otero

Senior Lecturer at Queen Mary University of London

Verified email at qmul.ac.uk - Homepage

Theoretical and Computational Chemistry Theoretical Photochemistry Nonadiabatic Dynamics Materials Science


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Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics R Crespo-Otero, M Barbatti Chemical Reviews, 2018	179	2018
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, 89-102, 2014	167	2014
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	146	2014
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	94	2012
NEWTON-X: a package for Newtonian dynamics close to the crossing seam M Barbatti, G Granucci, M Ruckenbauer, F Plasser, R Crespo-Otero, ... Version 2, 2007	63	2007
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	55	2013
Exploring Potential Energy Surfaces for Aggregation‐Induced Emission from Solution to Crystal R Crespo-Otero, Q Li, L Blancafort Chemistry–An Asian Journal, 2019	47	2019
Surface Hopping Dynamics with DFT Excited States M Barbatti, R Crespo-Otero Springer Berlin Heidelberg, 2015	44	2015
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	44	2012
Influence of Density Functionals and Basis Sets on One-Bond Carbon− Carbon NMR Spin− Spin Coupling Constants R Suardíaz, C Pérez, R Crespo-Otero, JM García de la Vega, JS Fabián Journal of Chemical Theory and Computation 4 (3), 448-456, 2008	44	2008
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	42	2017
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	40	2016
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	38	2015
Ultrafast Dynamics of UV‐Excited Imidazole R Crespo‐Otero, M Barbatti, H Yu, NL Evans, S Ullrich ChemPhysChem 12 (17), 3365-3375, 2011	38	2011
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	37	2017
Basis set superposition error in MP2 and density-functional theory: A case of methane-nitric oxide association R Crespo-Otero, LA Montero, WD Stohrer, JM García de la Vega The Journal of Chemical Physics 123 (13), 134107, 2005	36	2005
Excited State Proton Transfer in 2’-Hydroxychalcone derivatives M Dommett, R Crespo-Otero Phys. Chem. Chem. Phys, 2017	35	2017
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 121 (26), 4898-4901, 2009	32	2009
Variation in surface ionization potentials of pristine and hydrated BiVO4 R Crespo-Otero, A Walsh The journal of Physical Chemistry Letters 6 (12), 2379-2383, 2015	29	2015
Applying pattern recognition methods plus quantum and physico‐chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids YM Alvarez‐Ginarte, Y Marrero‐Ponce, JA Ruiz‐García, ... Journal of Computational Chemistry 29 (3), 317-333, 2008	29	2008

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