Cover Image, Volume 34, Issue 2


original image

The cover image shows the structure of methane hydrate, a form of water ice containing a large amount of methane within a crystal structure of water. Accurate description of hydrogen-bonding energies between water molecules and van der Waals interactions between guest molecules and host water cages is crucial for study of methane hydrates. On page 121, Yuan Liu, Jijun Zhao, Fengyu Li, and Zhongfang Chen assess the performance of a variety of exchange-correlation functionals and various basis sets in describing the non-covalent interactions in methane hydrates.