Guohui Zhou

TL;DR: An all-atom force field was proposed for a new class of room temperature ionic liquids (RTILs), N,N,N',N'-tetramethylguanidinium (TMG) RTILs, based on the AMBER force field with modifications on several parameters.

TL;DR: In this article, the microstructure and interionic interaction in two selected amino-functionalized imidazolium ionic liquids, 1-aminoethyl-3methylimidazolate hexafluorophosphate and 1-aminopropyl-3-butylimidrazolium tetrafluoroborate, were studied both for bulk liquid by using molecular dynamics simulations and for isolated ion pair by using ab initio calculations.

TL;DR: In this article, the authors performed molecular dynamics simulations for [bmim][PF6] ionic liquid and provided direct structural evidence that the ionic crystallizes in a carbon nanotube.

TL;DR: An all-atom force field was set up for a new class of ionic liquids (ILs), tetrabutylphosphonium amino acid, on the basis of the AMBER force field with determining parameters related to the phosphorus atom and modifying several parameters.

TL;DR: This review will highlight an up-to-date overview of the designability and enhanced selectivity of core-shell MOFs@MOFs composites, covering the synthetic strategies of an epitaxial growth method, postsynthetic modification, and one-pot synthesis as well as the synergistic selective performance of the synthesized MOFs @MOFs in catalysis, adsorption and separation, and molecular recognition.