With the development of internet of things and artificial intelligence electronics, metal oxide
semiconductor (MOS)‐based sensing materials have attracted increasing attention from …

Nanoporous solids are ubiquitous in chemical, energy, and environmental processes, where
controlled transport of molecules through the pores plays a crucial role. They are used as …

1.1. Background and History Commensurate adsorption is an interesting and important
phenomenon occurring during adsorption processes, where the molecular size and shape …

This introductory textbook covers all aspects of catalysis. It also bridges computational
methods, industrial applications and green chemistry, with over 600 references. The book is …

Zeolites are intriguing materials. The basic building blocks are corner sharing TO4 units,
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …

Shape selectivity is a simple concept: the transformation of reactants into products depends
on how the processed molecules fit the active site of the catalyst. Nature makes abundant …

The design and development of many emerging separation and catalytic process
technologies require a proper quantitative description of diffusion of mixtures of guest …

A novel united atom force field affords accurate and quantitative reproduction of the
adsorption properties of linear and branched alkanes in nanoporous framework structures …

We have developed a complete force field that accurately reproduces the adsorption
properties of carbon dioxide in a variety of zeolites with different topologies and …

We have developed a united atom force field able to accurately describe the adsorption
properties of linear alkanes in the sodium form of FAU-type zeolites. This force field …