Correction: Revealing the photocatalytic dissociation of water molecules on rutile TiO<sub>2</sub> surface <i>via</i> hybrid functional based linear response time-dependent density functional theory. [PDF]
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Accuracy and Potential of Hardware-Efficient Ansätze for Molecular Ground and Excited State Electronic Structure Calculations: Benchmark and Analysis of High-Depth Quantum Circuits. [PDF]
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Oxygen Binding Kinetics and Coordination States of Hemoglobins from Early Land Plants. [PDF]
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Stabilizing Proteins by Chemical Cross-Linking: Insights into Conformation, Unfolding, and Aggregation Using Native Ion Mobility Mass Spectrometry. [PDF]
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Calculating the dissociation chemistry and equation of state properties of materials
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Journal of the American Society for Mass Spectrometry, 2022We recently provided mass spectrometric, H/D labeling, and computational evidence of pyranose to furanose N-acetylated ion isomerization reactions that occurred prior to glycosidic bond cleavage in both O- and N-linked glycosylated amino acid model systems (Guan et al. Phys. Chem. Chem. Phys., 2021, 23, 23256-23266).
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