Non-Covalent Interactions in Polymers
Polymers, 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.
Alexander S. Novikov +1 more
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Computational and Theoretical Chemistry, 2012 Peer ...
Alkorta, Ibon, Grabowski, S. J.
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The surface site interaction point approach to non-covalent interactions [PDF]
Chemical Society Reviews, 2022 Non-covalent interactions are described using the SSIPs. Simple rules of thumb for predicting binding constants for any functional group interaction in any solvent are described, as well as general treatments of molecular properties like partition.
Storer, Maria Chiara +1 more
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Non-Covalent Interaction on the Self-Healing of Mechanical Properties in Supramolecular Polymers. [PDF]
Int J Mol Sci, 2022 Supramolecular polymers are widely utilized and applied in self-assembly or self-healing materials, which can be repaired when damaged. Normally, the healing process is classified into two types, including extrinsic and intrinsic self-healable materials.
Buaksuntear K +3 more
europepmc +2 more sources
Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across Protein Families [PDF]
, 2023 Protein structure (and thus function) is dictated by non-covalent interaction networks. These can be highly evolutionarily conserved across protein families, the members of which can diverge in sequence and evolutionary history.
Shina Caroline Lynn, Kamerlin +3 more
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An atomic surface site interaction point description of non-covalent interactions [PDF]
, 2023 Atomic interaction points provide a comprehensive description of the non-covalent interaction properties of organic compounds and can be used to predict free energy contributions to intermolecular complexation including the effects of desolvation.
Storer, Maria Chiara +3 more
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In the search for ditriel B⋯Al non-covalent bonding [PDF]
, 2021 The ditriel B⋯Al interaction has been characterised in Fδ−Bδ+⋯Alδ+Fδ− (δ > 0.6e) molecules using CCSD(T)/aug-cc-pVTZ calculations. It has a non-covalent character as evidenced by the topological analysis of electron density (AIM) and electron ...
Berski, S. +3 more
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Non-Covalent Interactions Atlas Benchmark Data Sets 5: London Dispersion in an Extended Chemical Space [PDF]
, 2022 The Non-Covalent Interactions Atlas (www.nciatlas.org) has been extended with two data sets of benchmark interaction energies in complexes dominated by London dispersion.
Jan, Řezáč
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Non-Covalent Interaction within Catalytic Anionic Donor and Neutral Acceptor to Promote Pd-Catalyzed Distal Site- selective Functionalization of Amines [PDF]
, 2022 C‒H activation of simple molecules to provide corresponding functionalized analogues has gained immense prominence. While this is widely applicable to a range of organic motifs, regioselectivity and most importantly site-selectivity of distal C‒H bonds ...
Adhya, Suresh +5 more
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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.
Gerd Buntkowsky, Michael Vogel
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