A Systematic Protocol for Benchmarking Guest–Host Interactions by First‐Principles Computations: Capturing CO2 in Clathrate Hydrates
MCastell2019-07-19T18:11:39+02:00Authors: Dr. Daniel J. Arismendi‐Arrieta, Dr. Álvaro Valdés, Dr. Rita Prosmiti. Contribution: Article Journal: Chem. Eur. J. Publication date: 24, 9353-9363 (2018). DOI: 10.1002/chem.201800497 Abstract: Clathrate hydrates of CO2 have been proposed as potential molecular materials in tackling important environmental problems related to greenhouse gases capture and storage. Despite the increasing interest in such hydrates and their [...]