Journal ArticleDOI
Theory of the strong hydrogen bond. Ab initio calculations on HF2- and H5O2+1a
Peter A. Kollman,Leland C. Allen +1 more
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This article is published in Journal of the American Chemical Society.The article was published on 1970-10-01. It has received 128 citations till now. The article focuses on the topics: Bond order & SIESTA (computer program).read more
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Strong hydrogen bonds in chemistry and biology
TL;DR: Although it has been proposed that strong, short, low-barrier hydrogen bonds are important in enzymatic reactions, it is concluded that the evidence for them in small molecules and in biomolecules is inconclusive.
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Extensive theoretical studies of the hydrogen‐bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2
TL;DR: The theoretical enthalpy of association of H5O+2 is found to be −35.0 kcal/mol−1, in slight disagreement with the most recent experimental results, but in accord with earlier ones, which suggests that these experiments should be reexamined.
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Towards an unified hydrogen-bond theory
Gastone Gilli,Paola Gilli +1 more
TL;DR: The Electrostatic-Covalent H-Bond Model (ECHBM) as mentioned in this paper is derived from the systematic analysis of structural and spectroscopic data of a large number of O-H⋯O H-bonds.
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Interrelation between H-bond and Pi-electron delocalization.
TL;DR: H-bond plays a double role in biological systems: on one hand, as a relatively strong directional interaction, it leads to relatively stable supramolecular structures, and on the other hand, because of dynamic features of the proton, it is an active site for initiation of chemical reactions.
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Applications of metal-organic frameworks in adsorption/separation processes via hydrogen bonding interactions
Imteaz Ahmed,Sung Hwa Jhung +1 more
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.