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Physical Chemistry Chemical Physics : PCCP|February 12, 2026
OER trends on TiO2 anatase hydroxylated surfaces: a DFT studyIsabela-Costinela Man, Maksim Sokolov, Kai S Exner, et al.
Chemical Science|June 14, 2021
Oxygen evolution reaction: a perspective on a decade of atomic scale simulationsSpyridon Divanis, Tugce Kutlusoy, Ida Marie Ingmer Boye, et al.
The Journal of Organic Chemistry|January 27, 2026
Conformational Landscape of 1,3-Bis[oxo/thioxo-thiazolinyl] Aromatic Compounds with Two C-N Chiral Axes: A 15N NMR and DFT StudyIsabela-Costinela Man, Raluca Ioana Jalbă, Alina Nicolescu, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 9, 2025
Signature of electronically excited states in Raman spectra of azobenzene derivatives. Computational and experimental approachesDragos Lucian Isac, Emilian Rosca, Anton Airinei, et al.
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