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Physical Chemistry Chemical Physics : PCCP|June 26, 2018
A computationally-derived model for the solvatochromism of p-phenolates with high predictive powerRaúl Mera-Adasme, Moisés DomínguezSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 19, 2019
Insights into the halochromism of a bithiophene π* probeMoisés Domínguez, Raúl Mera-Adasme, Marcos Caroli RezendeJournal of Molecular Modeling|June 3, 2019
A benchmark for the size of the QM system required for accurate hybrid QM/MM calculations on the metal site of the protein copper, zinc superoxide dismutaseRaúl Mera-Adasme, Moisés Domínguez, Otoniel Denis-AlpizarSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 11, 2020
On the physical-chemical nature of solvent polarizability and dipolarityRaúl Mera-Adasme, Marcos Caroli Rezende, Moisés DomínguezMetallomics : Integrated Biometal Science|September 8, 2016
Destabilization of the metal site as a hub for the pathogenic mechanism of five ALS-linked mutants of copper, zinc superoxide dismutaseRaúl Mera-Adasme, Hannes Erdmann, Tomasz Bereźniak, et al.The Journal of Physical Chemistry. B|November 21, 2014
Effect of including torsional parameters for histidine-metal interactions in classical force fields for metalloproteinsRaúl Mera-Adasme, Keyarash Sadeghian, Dage Sundholm, et al.International Journal of Molecular Sciences|July 24, 2021
Hybrid QM/MM Simulations Confirm Zn(II) Coordination Sphere That Includes Four Cysteines from the P2 × 4R Head DomainFrancisco Andrés Peralta, J Pablo Huidobro-Toro, Raúl Mera-AdasmePhysical Chemistry Chemical Physics : PCCP|October 7, 2016
Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cellsRaúl Mera-Adasme, Wen-Hua Xu, Dage Sundholm, et al.Organic Letters|September 11, 2025
Reaching the Limit of Inverted Solvatochromism in π-Extended Bipyridinium-Phenolate DyesFabián Melinao, Matías Vidal, Raúl Mera-Adasme, et al.The Journal of Organic Chemistry|August 19, 2025
Solvatochromism of π-Extended Pyridinium-Thienylene-PhenolatesMatías Vidal, Simone Morales, Raúl Mera-Adasme, et al.Pageof 3