Stability and NMR Chemical Shift of Amorphous Precursors of Methane Hydrate: Insights from Dispersion-Corrected Density Functional Theory Calculations Combined with Machine Learning

• Published in: The Journal of Physical Chemistry B
• Main Authors: Li, Keyao, Wang, Pengju, Tang, Lingli, Shi, Ruili, Su, Yan, Zhao, Jijun
• Other Authors: Ministry of Education of the People's Republic of China, National Natural Science Foundation of China
• Format: Article in Journal/Newspaper
• Language: English
• Published: American Chemical Society (ACS) 2020
• Subjects: Materials Chemistry; Surfaces, Coatings and Films; Physical and Theoretical Chemistry; Methane hydrate
• Online Access: http://dx.doi.org/10.1021/acs.jpcb.0c09162; https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c09162