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Non-Covalent Interactions in Coordination Chemistry
InorganicsNon-covalent interactions [...]
Alexey S. Kubasov, Varvara V. Avdeeva
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Non-Covalent Interactions in Polymers. [PDF]
Polymers (Basel), 2023 Non-covalent interactions are one of the key topics in modern chemical science. These inter- and intramolecular weak interactions (e.g., hydrogen, halogen, and chalcogen bonds, stacking interactions and metallophilic contacts) have a significant effect on the properties of polymers.
Novikov AS.
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Computational and Theoretical Chemistry, 2012 Covalent bonds form the skeleton of molecules while non-covalent interactions allow them to modulate their shape and some of their characteristics. The lability of the non-covalent interactions due to subtle changes in the environment is of primary importance in biochemical processes. Thus, for instance, the interaction of a hormone with a receptor can
Alkorta, Ibon, Grabowski, S. J.
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Carbon nanotube decorated magnetic microspheres as an affinity matrix for biomolecules [PDF]
, 2013 Carbon nanotube (CNT) decorated magnetic microspheres were fabricated to develop a multimodal platform that utilizes non-covalent molecular interactions of CNTs to magnetically separate biomolecules.
Kolkar Mohammed, Javed Hussain Niazi +1 more
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Non-covalent interactions at electrochemical interfaces : one model fits all? [PDF]
, 2014 Acknowledgements Funding from the DGI (Spanish Ministry of Education and Science) through Project CTQ2009-07017 is gratefully acknowledged. E.P.M.L. wishes to thank the Universidad Nacional de Co´rdoba, Argentina, for a grant within the ‘‘Programa de ...
Cabello, Gema +3 more
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Molecular balances for quantifying non-covalent interactions [PDF]
Chemical Society Reviews, 2010 Molecular interactions underlie the whole of chemistry and biology. This tutorial review illustrates the use of rotameric folding molecules, topoisomers, atropoisomers, and tautomers as molecular balances for quantifying non-covalent interactions.
Mati, Ioulia K, Cockroft, Scott L
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Thermochemistry of Non-Covalent Ion–Molecule Interactions [PDF]
Mass Spectrometry, 2013 The thermochemistry of non-covalent ion-molecule complexes has been examined by measuring quantitative bond dissociation energies using threshold collision-induced dissociation in guided ion beam tandem mass spectrometers (GIBMS). The methods used are briefly reviewed and several examples of the types of information and insight that can be obtained ...
P B, Armentrout, M T, Rodgers
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Molecular mechanism of inhibition of the mitochondrial carnitine/acylcarnitine transporter by omeprazole revealed by proteoliposome assay, mutagenesis and bioinformatics. [PDF]
PLoS ONE, 2013 The effect of omeprazole on the mitochondrial carnitine/acylcarnitine transporter has been studied in proteoliposomes. Externally added omeprazole inhibited the carnitine/carnitine antiport catalysed by the transporter.
Annamaria Tonazzi +2 more
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Extent of Fock-exchange mixing for a hybrid van der Waals density functional? [PDF]
, 2018 The vdW-DF-cx0 exchange-correlation hybrid design has a truly nonlocal correlation component and aims to facilitate concurrent descriptions of both covalent and non-covalent molecular interactions.
Hyldgaard, Per +2 more
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Pure non-local machine-learned density functional theory for electron correlation
Nature Communications, 2021 Semilocal density functionals, while computationally efficient, do not account for non-local correlation. Here, the authors propose a machine-learning approach to DFT that leads to non-local and transferable functionals applicable to non-covalent, ionic ...
Johannes T. Margraf, Karsten Reuter
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