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Small Molecules, Non-Covalent Interactions, and Confinement [PDF]
Molecules, 2020 This review gives an overview of current trends in the investigation of small guest molecules, confined in neat and functionalized mesoporous silica materials by a combination of solid-state NMR and relaxometry with other physico-chemical techniques. The
Gerd Buntkowsky, Michael Vogel
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Theoretical Investigation on Non-Covalent Interactions [PDF]
Crystals, 2022 This editorial is dedicated to announcing the Special Issue “Theoretical investigation on non-covalent interactions” of Crystals. The Special Issue covers the most recent progress in the rapidly growing fields of data science, artificial intelligence ...
Alexander S. Novikov
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Physical networks from entropy-driven non-covalent interactions [PDF]
Nature Communications, 2021 Physical networks typically employ enthalpy-dominated crosslinking interactions that become more dynamic at elevated temperatures. Here, the authors report an entropy-driven physical network based on polymer-nanoparticle interactions that exhibits ...
Anthony C. Yu +5 more
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Measurement of protein non-covalent interactions in buffer and cells [PDF]
Magnetic Resonance LettersNuclear magnetic resonance (NMR) serves as a powerful tool for studying both the structure and dynamics of proteins. The NOE method, alongside residual dipolar; coupling, paramagnetic effects, J-coupling, and other related techniques, has reached a level
Jingwen Li, Xiangfei Song, Lishan Yao
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Nested non-covalent interactions expand the functions of supramolecular polymer networks [PDF]
Nature CommunicationsSupramolecular polymer networks contain non-covalent cross-links that enable access to broadly tunable mechanical properties and stimuli-responsive behaviors; the incorporation of multiple unique non-covalent cross-links within such materials further ...
David J. Lundberg +8 more
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Molecular geometric deep learning
Cell Reports: Methods, 2023 Summary: Molecular representation learning plays an important role in molecular property prediction. Existing molecular property prediction models rely on the de facto standard of covalent-bond-based molecular graphs for representing molecular topology ...
Cong Shen, Jiawei Luo, Kelin Xia
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Gels, 2023 Smart polymer hydrogels are soft materials formed by crosslinking with various covalent and non-covalent interactions [...]
Wei Ji
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Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives
Molecules, 2021 Intramolecular interactions are shown to be key for favoring a given structure in systems with a variety of conformers. In ortho-substituted benzene derivatives including a beryllium moiety, beryllium bonds provide very large stabilizations with respect ...
Tsai I-Ting +4 more
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Non-Covalent Interactions in Coordination and Organometallic Chemistry
Crystals, 2020 The problem of non-covalent interactions in coordination and organometallic compounds is a hot topic in modern chemistry, material science, crystal engineering and related fields of knowledge.
Alexander S. Novikov
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The promotion effect of π-π interactions in Pd NPs catalysed selective hydrogenation
Nature Communications, 2022 The non-covalent interactions play an important role in biocatalysis, but they have not been fully explored in metal-catalysed reactions. Herein, the authors present advanced understanding of the π-π interactions of covalent organic frameworks in Pd ...
Miao Guo +7 more
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