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Physical Chemistry Chemical Physics : PCCP|May 12, 2017
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairsAbril C Castro, Marcel Swart, Célia Fonseca Guerra
The Journal of Physical Chemistry. A|December 3, 2024
Advancing 19F NMR Prediction of Metal-Fluoride Complexes in Solution: Insights from Ab Initio Molecular DynamicsSahil Gahlawat, Kathrin H Hopmann, Abril C Castro
Physical Chemistry Chemical Physics : PCCP|September 19, 2012
Chemical bonding in supermolecular flowersAbril C Castro, Mikael P Johansson, Gabriel Merino, et al.
Inorganic Chemistry|November 23, 2020
First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and DynamicsAbril C Castro, David Balcells, Michal Repisky, et al.
ACS Organic & Inorganic Au|February 10, 2025
Metal-Dependent Mechanism of the Electrocatalytic Reduction of CO2 by Bipyridine Complexes Bearing Pendant Amines: A DFT StudyMahika Luthra, Abril C Castro, David Balcells, et al.
Inorganic Chemistry|November 25, 2024
Copper(II)-Oxyl Formation in a Biomimetic Complex Activated by Hydrogen Peroxide: The Key Role of Trans-Bis(Hydroxo) SpeciesNing Cao, Abril C Castro, David Balcells, et al.
Catalysis Science & Technology|November 29, 2023
Bulky, electron-rich, renewable: analogues of Beller's phosphine for cross-couplingsDanielle van der Westhuizen, Abril C Castro, Nilay Hazari, et al.
Inorganic Chemistry|March 15, 2023
Solid-State 19F NMR Chemical Shift in Square-Planar Nickel-Fluoride Complexes Linked by Halogen BondsAbril C Castro, Michele Cascella, Robin N Perutz, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 26, 2019
Computational NMR Spectra of o-Benzyne and Stable Guests and Their HemicarceplexesAbril C Castro, Adrian Romero-Rivera, Sílvia Osuna, et al.
Organometallics|September 13, 2024
Computational Study of the Ir-Catalyzed Formation of Allyl Carbamates from CO2Sahil Gahlawat, Markus Artelsmair, Abril C Castro, et al.
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