Results 221 to 230 of about 167,208 (259)

Non-covalent interactions – QTAIM and NBO analysis

Journal of Molecular Modeling, 2012
MP2(full)/6-311++G(3df,3pd) calculations were carried out on complexes linked through various non-covalent Lewis acid - Lewis base interactions. These are: hydrogen bond, dihydrogen bond, hydride bond and halogen bond. The quantum theory of ´atoms in molecules´ (QTAIM) as well as the natural bond orbitals (NBO) method were applied to analyze properties
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Non-covalent interactions between proteins and polysaccharides

Biotechnology Advances, 2006
Foods with novel or improved properties can be created by utilizing non-covalent interactions between proteins and polysaccharides. In solution, either attractive or repulsive interactions between proteins and polysaccharides can be used to create microstructures that give foods novel textural and sensory properties.
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The Conversation on Non-Covalent Interactions: an introduction

Journal of Molecular Modeling, 2022
Tim, Clark, Tore, Brinck
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Non-covalent intermolecular carbon–carbon interactions in polyynes

Physical Chemistry Chemical Physics, 2015
Polyynes, the smaller analogues of one dimensional infinite chain carbon allotrope carbyne, have been studied for the type and strength of the intermolecular interactions in their dimer and tetramer complexes using density functional theory.
Karunakaran, Remya, Cherumuttathu H, Suresh   +1 more
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Non-covalent interactions in solution

2013
Non-covalent interactions taking place in solution are essential in chemical and biological systems. The solvent environment plays an important role in determining the geometry and stability of interactions. This thesis examines aromatic stacking interactions, alkyl-alkyl interactions, edge-to-face aromatic interactions, halogen bonds and hydrogen ...
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Chitosan Functionalization: Covalent and Non-Covalent Interactions and Their Characterization

Polymers, 2021
Sandrine Gerber-Lemaire
exaly  

Non-covalent interactions of graphene surface: Mechanisms and applications

CheM, 2022
Jing Zhan, Yong Zhang, Zhendong Lei
exaly  

Synergistic Interplay of Covalent and Non‐Covalent Interactions in Reactive Polymer Nanoassembly Facilitates Intracellular Delivery of Antibodies

Angewandte Chemie - International Edition, 2021
Kingshuk Dutta, S Thayumanavan, Ritam Das   +2 more
exaly  

Substituent effects on non-covalent interactions

2020
Non-covalent interactions play a vital role in biological and chemical systems, underpinning important processes such as ligand–receptor binding and protein structure. Substituent effects on these non-covalent interactions are often used to influence the system and are generally predicted based upon empirically defined constants.
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Non-covalent interactions in natural products

Les interactions non-covalentes dans les produits naturels Les polyphénols naturels forment des complexes non-covalents dans lesquels le π-stacking et les liaisons hydrogène jouent un rôle clé dans la stabilisation. Les calculs DFT incluant la dispersion (DFT-D), la description des processus d'agrégation non-covalente de produits ...
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