Abril C. Castro, M.Sc.
Affiliations: | Institut de Química Computacional i Catàlisi & Dept. de Química | Universitat de Girona |
Area:
Chemistry, NMRGoogle:
"Abril Castro"Bio:
PhD-student, May 2013-2016
Mean distance: 10.95 | S | N | B | C | P |
Parents
Sign in to add mentor| Marcel Swart | grad student | 2013-2017 | Univ. Girona | |
| (PhD-study in progress) | ||||
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Publications
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| Castro AC, Balcells D, Repisky M, et al. (2020) First-Principles Calculation of H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics. Inorganic Chemistry |
| Castro AC, Romero‐Rivera A, Osuna S, et al. (2020) Cover Feature: Computational NMR Spectra of o ‐Benzyne and Stable Guests and Their Hemicarceplexes (Chem. Eur. J. 12/2020) Chemistry – a European Journal. 26: 2517-2517 |
| Castro A, Romero-Rivera A, Osuna S, et al. (2019) COMPUTATIONAL NMR SPECTRA OF o-BENZYNE AND STABLE GUESTS AND THEIR HEMICARCEPLEXES. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Castro AC, Fliegl H, Cascella M, et al. (2019) Four-component relativistic P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations. Dalton Transactions (Cambridge, England : 2003) |
| Castro AC, Swart M, Guerra CF. (2017) The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs. Physical Chemistry Chemical Physics : Pccp |
| Castro AC, Osorio E, Cabellos JL, et al. (2014) Exploring the potential energy surface of E₂P₄ clusters (E=Group 13 element): the quest for inverse carbon-free sandwiches. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4583-90 |
| Chakraborty P, Adhikary J, Samanta S, et al. (2014) Combined experimental and theoretical investigation of ligand and anion controlled complex formation with unprecedented structural features and photoluminescence properties of zinc(II) complexes Crystal Growth and Design. 14: 4111-4123 |
| Castro AC, Osorio E, Cabellos JL, et al. (2014) Cover Picture: Exploring the Potential Energy Surface of E2P4Clusters (E=Group 13 Element): The Quest for Inverse Carbon-Free Sandwiches (Chem. Eur. J. 16/2014) Chemistry - a European Journal. 20: 4493-4493 |
| Castro AC, Johansson MP, Merino G, et al. (2012) Chemical bonding in supermolecular flowers. Physical Chemistry Chemical Physics : Pccp. 14: 14905-10 |
| Castro AC, Audiffred M, Mercero JM, et al. (2012) Planar tetracoordinate carbon in CE 4 2- (E = Al-Tl) clusters Chemical Physics Letters. 519: 29-33 |