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Journal ArticleDOI

The hydrogen bond in the solid state.

Thomas Steiner
- 04 Jan 2002 - 
- Vol. 41, Iss: 1, pp 48-76
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TLDR
The hydrogen bond is the most important of all directional intermolecular interactions, operative in determining molecular conformation, molecular aggregation, and the function of a vast number of chemical systems ranging from inorganic to biological.
Abstract
The hydrogen bond is the most important of all directional intermolecular interactions. It is operative in determining molecular conformation, molecular aggregation, and the function of a vast number of chemical systems ranging from inorganic to biological. Research into hydrogen bonds experienced a stagnant period in the 1980s, but re-opened around 1990, and has been in rapid development since then. In terms of modern concepts, the hydrogen bond is understood as a very broad phenomenon, and it is accepted that there are open borders to other effects. There are dozens of different types of X-H.A hydrogen bonds that occur commonly in the condensed phases, and in addition there are innumerable less common ones. Dissociation energies span more than two orders of magnitude (about 0.2-40 kcal mol(-1)). Within this range, the nature of the interaction is not constant, but its electrostatic, covalent, and dispersion contributions vary in their relative weights. The hydrogen bond has broad transition regions that merge continuously with the covalent bond, the van der Waals interaction, the ionic interaction, and also the cation-pi interaction. All hydrogen bonds can be considered as incipient proton transfer reactions, and for strong hydrogen bonds, this reaction can be in a very advanced state. In this review, a coherent survey is given on all these matters.

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Citations
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Journal ArticleDOI

Applications of metal-organic frameworks in adsorption/separation processes via hydrogen bonding interactions

TL;DR: In this paper, a review of hydrogen bonding interactions between metal-organic frameworks and adsorbates is presented, which will motivate the development of methods and techniques to utilize hydrogen bonding in several important adsorption-based applications of MOFs.
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On the Accuracy of DFT for Describing Hydrogen Bonds: Dependence on the Bond Directionality

TL;DR: In this paper, a set of representative hydrogen bonded dimers has been studied employing density functional theory (DFT) in the Perdew, Burke, and Ernzerhof (PBE) generalized gradient approximation.
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Experimental Binding Energies in Supramolecular Complexes

TL;DR: A critical overview is given on essential noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses with selected proteins, and promises and limitations of these strategies are discussed.
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Optimizing fragment and scaffold docking by use of molecular interaction fingerprints.

TL;DR: In all cases, scoring by the similarity of interaction fingerprints to a given reference was statistically superior to conventional scoring functions in posing low-molecular-weight fragments, predicting protein-bound scaffold coordinates according to the known binding mode of related ligands, and screening a scaffold library to enrich a hit list in true cdk2-targeted scaffolds.
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Antifouling and Antimicrobial Polymer Membranes Based on Bioinspired Polydopamine and Strong Hydrogen-Bonded Poly(N-vinyl pyrrolidone)

TL;DR: The strategy of material surface modification reported here is substrate-independent, and applicable to a broad range of materials and geometries, which allows effective development of materials with novel functional coatings based on the mussel-inspired surface chemistry.
References
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Journal ArticleDOI

van der Waals Volumes and Radii

Journal ArticleDOI

Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals

TL;DR: In this article, a review of the most promising systematic approaches to resolving this enigma was initially developed by the late M. C. Etter, who applied graph theory to recognize, and then utilize, patterns of hydrogen bonding for the understanding and design of molecular crystals.
Book

An Introduction to Hydrogen Bonding

TL;DR: In this paper, the authors discuss the properties of strong and moderate hydrogen bonds in biological molecules and include inclusion of inclusion compounds in the graph set theory of graph set theories, which is used in this paper.
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