In silico investigation of ligand-regulated palladium-catalysed formic acid dehydrative decomposition {under|below|beneath} acidic {conditions|circumstances|situations}

In silico investigation of ligand-regulated palladium-catalysed formic acid dehydrative decomposition to carbon monoxide {under|below|beneath} acidic {conditions|circumstances|situations} was {conducted|performed|carried out}. Two {types|kinds|varieties|sorts|forms} of bidentate tertiary phosphine ligands {were|had been|have been} {selected|chosen}…

Rationally Tailoring Catalysts for the CO Oxidation Reaction {by using|by utilizing} DFT Calculations

Rational {design|style|design and style} of catalysts by tailoring {specific|particular|certain|distinct|precise} surface {sites|websites|web sites|internet sites|web-sites|web pages} with {different|various|distinct|diverse|unique|distinctive} {elements|components} could {result|outcome} in catalysts with {high|higher} activity, selectivity and stability. {In this|Within this}…

{Process|Procedure|Method|Approach|Course of action} for coating surfaces {with a|having a|using a} copolymer {made|produced|created} from sulfur and dicyclopentadiene

The reaction {between|in between|among|amongst|involving} sulfur and dicyclopentadiene was optimised to {form|type|kind} a shelf {stable|steady} and soluble low molecular weight oligomer. {After|Following|Right after|Soon after|Immediately after|Just after} a {simple|easy|straightforward|basic|uncomplicated|very simple} curing {process|procedure|method|approach|course…