Composition dependent structure in mixtures of water and hydrogen bonded mono...

B2FIND2026-04-25 收录

溶液化学

分子间相互作用

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https://b2find.eudat.eu/dataset/fc529f10-bf78-5444-8b32-c34c1a686628 数据链接链接失效反馈

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This is part of a project concerning the interplay between water and other H-bonded liquids using a range of complementary experimental techniques, e.g. dielectric spectroscopy,...

Insights into Thiol–Aromatic Interactions: A Stereoelectronic Basis for S–H/π Interactions

分子间相互作用

化学键理论

Thiols can engage favorably with aromatic rings in S–H/π interactions, within abiological systems and within proteins. However, the underlying bases for S–H/π interactions are not well understood. The

acs.figshare.com2023-05-31 更新150

Density Functional Theory-Based Prediction of the Formation Constants of Complexes of Ammonia in Aqueous Solution: Indications of the Role of Relativistic Effects in the Solution Chemistry of Gold(I)

密度泛函理论

溶液化学

A prediction of the formation constants (log K1) for complexes of metal ions with a single NH3 ligand in aqueous solution, using quantum mechanical calculations, is reported. ΔG values at 298 K in the

NIAID Data Ecosystem60

Host-guest hydrogen bonding in high-pressure clathrates

高压化学

分子间相互作用

Clathrate hydrates are crystalline compounds consisting of hydrogen-bonded water molecules configured into cages enclosing guest molecules that are typically non-polar. Studies...

B2FIND20

Translational Dynamics in the Solvated Electron-Alkalide Analogues Li-MeNH2 and LiNa-MeNH2

分子动力学

溶液化学

This proposal aims to determine the differences in methylamine dynamics in metallic, electroytic, and alkalidic solutions. The large differences in density and the visual behaviour of the liquids sugg

DataCite Commons2025-07-09 更新70

Density Functional Theory-Based Prediction of the Formation Constants of Complexes of Ammonia in Aqueous Solution: Indications of the Role of Relativistic Effects in the Solution Chemistry of Gold(I)

溶液化学

相对论效应

NIAID Data Ecosystem30