Abril Castro Aguilera

Image of Abril Castro Aguilera
Norwegian version of this page
Room V234A
Username
Visiting address Sem Sælands vei 26 0371 Oslo
Postal address Postboks 1033 0315 Oslo

Academic interests

  • Computational NMR Spectroscopy of Transition-metal complexes.
  • ab-initio Molecular Dynamics Simulations.
  • Two- and four-component Relativistic Quantum Methods.
  • DFT Molecular Modeling.

Personal website: https://abrilccastro.wordpress.com

Higher education and employment history

  • Postdoctoral position at the Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, Norway, 2021.
  • Postdoctoral position in the group of Prof. Oscar Jiménez-Halla, University of Guanajuato, Mexico, 2018.
  • PhD degree in Chemistry, University of Girona, Spain, 2017.
  • Master of Science degree in Chemistry, University of Guanajuato, Mexico, 2012.

Selected Publications

  • A. C. Castro, D. Balcells, M. Repisky, T. Helgaker, M. Cascella, First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics, Inorg. Chem., 2020, 59, 17509.
  • A. C. Castro, A. Romero-Rivera, S. Osuna, K. N. Houk, M. Swart, Computational NMR Spectra of o-Benzyne and Stable Guests and their Hemicarceplexes, Chem. Eur. J., 2020, 26, 2626-2634.
  • A. C. Castro, H. Fliegl, M. Cascella, T. Helgaker, M. Repisky, S. Komorovsky, M. A. Medrano, A. G. Quiroga, M. Swart, Four-component relativistic 31P‑NMR calculations for trans-platinum(II) complexes: Importance of the solvent and dynamics in spectral simulations. Dalton Trans., 2019, 48, 8076-8083.

Awards

  • Marie Skłodowska-Curie Actions Individual Fellowship (2019-2021) funded by the European Union’s Framework Programme for Research and Innovation Horizon 2020.
  • National Researcher Level 1 (SNI I) distiction, granted by the National Council of Science and Technology of Mexico (CONACyT), Mexico, 2019
  • National Chemistry Prize awarded by the Mexican Society of Thermodynamics and Center for Research and Advanced Studies (CINVESTAV) for the Best Master thesis in the area of Thermodynamics, Mexico, 2013.

 

Tags: Computational Chemistry

Publications

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  • Castro, Abril C (2021). Métodos Computacionales Aplicados a Espectroscopia de RMN de Complejos Metálicos.
  • Castro, Abril C (2021). Computational Methods applied to NMR Spectroscopy of Transition-metal Complexes.
  • Castro, Abril C (2021). Relativity and Dynamic effects in Computational NMR Spectroscopy of Transition-Metal Complexes (ReaDy-NMR).
  • Castro, Abril C (2021). Relativity and Dynamics in Computational NMR Spectroscopy.
  • Castro, Abril C (2020). First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Poly- hydrides — The Essential Inclusion of Relativity and Dynamics.
  • Castro, Abril C (2019). Relativistic and Dynamic effects in Computational 1H-NMR Spectroscopy of Iridium Polyhydride complexes.
  • Castro, Abril C (2019). Relativistic and Dynamic effects in 1H-NMR chemical shift calculations of Iridium Polyhydride clusters.

View all works in Cristin

Published Mar. 28, 2019 12:12 PM - Last modified Oct. 4, 2021 3:54 PM