Abril Castro Aguilera

Forsker - Hylleraas-senteret
English version of this page
Brukernavn
Besøksadresse Sem Sælands vei 26 0371 OSLO
Postadresse Postboks 1033 0315 OSLO

Vennligst se min engelske personprofil for mer informasjon.

Publikasjoner

  • Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve & Cascella, Michele (2020). First-principles calculation of 1H NMR chemical shifts of complex metal polyhydrides: The essential inclusion of relativity and dynamics. Inorganic Chemistry.  ISSN 0020-1669.  59(23), s 17509- 17518 . doi: 10.1021/acs.inorgchem.0c02753 Fulltekst i vitenarkiv.
  • Castro, Abril C & Swart, Marcel (2020). Recent Advances in Computational NMR Spectrum Prediction, In Philippe B. Wilson & Martin Grootveld (ed.),  Computational Techniques for Analytical Chemistry and Bioanalysis.  Royal Society of Chemistry (RSC) Publishing.  ISBN 978-1-78801-461-8.  Chapter 2.  s 41 - 68
  • Gómez-Alcocer, Fátima; Castro, Abril C.; Jimenez-Halla, J. Oscar C.; Saldaña-Piña, Noe; Basavanag, Murali V.; Báez-García, J. Eduardo; Bonilla-Cruz, José; López, Jorge A. & González-García, Gerardo (2020). Neutral Hexacoordinate Tin(IV) Halide Complexes with 4,4'‐Dimethy‐2,2'‐bipyridine. Zeitschrift für Anorganische und Allgemeines Chemie.  ISSN 0044-2313.  646, s 1274- 1280 . doi: 10.1002/zaac.202000073 Fulltekst i vitenarkiv.

Se alle arbeider i Cristin

  • 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 (2020). Relativistic and Dynamic effects are needed to correctly model NMR chemical shifts of metal polyhydride complexes.
  • Castro, Abril C (2019). Relativistic and Dynamic effects in 1H-NMR chemical shift calculations of Iridium Polyhydride clusters.
  • Castro, Abril C (2019). Relativistic and Dynamic effects in Computational 1H-NMR Spectroscopy of Iridium Polyhydride complexes.

Se alle arbeider i Cristin

Publisert 28. mars 2019 12:07 - Sist endret 12. nov. 2020 17:46