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The energy is broken into guest–guest, guest–host, and host–host contributions. Radial distribution functions and three-dimensional density distributions provide insight into the changes in guest orientation and interactions with the host framework as a function of guest composition.
- Bernadette R. Cladek, S. Michelle Everett, Marshall T. McDonnell, Matthew G. Tucker, David J. Keffer...
- 2018
Though a simple host–guest system can be obtained just by the simple mixing of macrocyclic hosts and guest molecules, the design of complex supramolecular assemblies with varied morphologies and functions requires the synergetic integration of various factors like the strength of the host–guest binding, nature of the macrocyclic hosts and ...
Oct 28, 2020 · Abstract. Multicomponent crystals, for which natural gas hydrates are important examples, have drawn considerable attention because of their scientific and industrial importance. By performing large-scale molecular dynamics simulations on hydrate nucleation of several common natural gases (CH 4, C 2 H 6, C 3 H 8, and H 2 S) and their mixtures ...
- Zhengcai Zhang, Guang-Jun Guo, Nengyou Wu, Peter G. Kusalik
- 2020
In supramolecular chemistry, [1] host–guest chemistry describes complexes that are composed of two or more molecules or ions that are held together in unique structural relationships by forces other than those of full covalent bonds. Host–guest chemistry encompasses the idea of molecular recognition and interactions through non-covalent bonding.
Oct 5, 2016 · The characteristics of host–guest systems, such as molecular recognition, complexation, encapsulation, guest composition, and dynamic exchange, are manifested by changes in the chemical shifts (Δω) in the NMR spectrum. However, in cases where NMR signals cannot be detected, due to low concentrations, poor so.
Aug 28, 2015 · This article has highlighted the state-of-the-art potential energy applications of crystalline guest-host compounds, the inorganic and water (hydrates) clathrates. The guest-host interactions of these compounds play a significant role in the structure, stability, and properties of these materials.
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Aug 12, 2021 · The study thus gave a novel example of a host–guest mixture that is able to carry out composition-driven structural modulation and guest-induced nanotemplates. The finding broadens the horizon of host–guest chemistry and may inspire more nanoinnovation.
