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Time-Resolved Dynamic Crystallization at Liquid/Vapor Interface
出版 2022“...Through structural, elemental, and morphological analyses, we deduce that the crystalline precipitate is monohydrate NaOH·H<sub>2</sub>O, whose orthorhombic structure forms the underlying basis for the evolved crystalline shapes. ...”
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Binding free energy, number of H-bonds formed, amino acid residues involved in H-bonding, and bond lengths for the top 10 docked complexes.
出版 2022“...<p>Binding free energy, number of H-bonds formed, amino acid residues involved in H-bonding, and bond lengths for the top 10 docked complexes....”
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Symmetry-Adapted Perturbation Theory Decomposition of the Reaction Force: Insights into Substituent Effects Involved in Hemiacetal Formation Mechanisms
出版 2019“...Our results highlight the importance of more favorable electrostatic and induction effects in the reactions involving halogenated aldehydes that leads to lower activation energy barriers. ...”
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