Results 11 to 20 of about 3,934,989 (303)
Non-covalent ligand-oxide interaction promotes oxygen evolution [PDF]
Nature Communications, 2023 If and how non-bonding ligands mediate the electronic states of metal sites is interesting yet remains to be explored. Here the authors show that a non-covalent phenanthroline can promote the population of Co4+ and induce polaron-like Co sites for ...
Qianbao Wu +15 more
doaj +2 more sources
, 2012 Reviewed in historical context, bond order emerges as a vaguely defined concept without a clear theoretical basis. As an alternative, the spherical standingwave model of the extranuclear electronic distribution on an atom provides a simple explanation of covalent bond order as arising from the constructive and destructive interference of wave patterns.
Jan C. A. Boeyens
openaire +3 more sources
Computational and Theoretical Chemistry, 2012 Peer ...
Alkorta, Ibon, Grabowski, S. J.
openaire +3 more sources
The covalent interaction of C3 with IgG immune complexes
Molecular Immunology, 1999 Antigens (Ags) are converted into immune complexes (antigen-antibody complexes, IC) as soon as they encounter their specific antibodies (Abs). In fluids containing complement, the process of IC formation and fixation of complement components occur simultaneously.
F, Vivanco +3 more
openaire +3 more sources
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
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
core +9 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
core +2 more sources
Intermolecular Covalent Interactions: Nature and Directionality
Chemistry – A European Journal, 2023 Abstract Quantum chemical methods were employed to analyze the nature and the origin of the directionality of pnictogen (PnB), chalcogen (ChB), and halogen bonds (XB) in archetypal F m Z⋅⋅⋅F − complexes (Z=Pn, Ch, X), using ...
Lucas de Azevedo Santos +3 more
openaire +3 more sources
Enhancing Structural Control in Covalent Organic Frameworks through Steric Interaction-Driven Linker Design [PDF]
, 2023 Covalent Organic Frameworks (COFs) exhibiting kagome (kgm) structures are promising crystalline porous materials with two distinct pores. However, the challenge arises from the potential formation of the polymorphic square-lattice (sql) structure, which ...
Panagiotis, Kastritis +5 more
core +1 more source
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
core +1 more source