English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Open

Presents the pdf analysis as premium feature

PDF Analysis

Insights

Presents the summarisation as premium feature

Summarisation

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

The catalytic transformation of the heavy aromatics in bitumen into lighter components is the key to the upgrading and refining of the oil sands. To understand the chemical bonding in molybdenum carbide nanoparticle (MCNP) catalysts and the chemisorption bonds between the MCNPs and unsaturated hydrocarbons, the topological analysis of the electron localization function was applied to various MCNPs and their complexes with unsaturated hydrocarbons. For some of the smaller complexes, comparisons are made with the atoms in molecules approach, including the calculation of delocalization indices. The results are interpreted in the Lewis bonding scheme. It was found that the Mo–C bonding can be highly ionic in cases like Mo8C12 and MoC but shows significant covalent character in Mo2C, Mo3C, and Mo28C14. The chemisorption bonds between hydrocarbons and the MCNPs involve electron sharing of various types with strong covalent character. The strong three– or four–center interactions determine the adsorption configu...

canadian journal of chemistry

Application of topological analysis of the electron localization function to the complexes of molybdenum carbide nanoparticles with unsaturated hydrocarbons