Lignocellulosic biomass is a sustainable source of renewable carbon, and it is the most abundant form of terrestrial biomass. The three main constituents of lignocellulosic biomass are cellulose, hemicellulose, and lignin. The monomers from these biopolyme ...
In this work, a theoretical framework is developed to explain and predict changes in the product distribution of the propene dimerization reaction, which yields a mixture of C-6 olefin isomers, resulting from the use of different porous materials as cataly ...
The solubility diagram of the quinary system Na+-Mg++-1-aminonaphtalene-6-sulfonate-1-aminonaphtalene-7-sulfonate-Cl–-H2O has been partially investigated between 0° and 75°. From this diagram a simple and effective procedure to separate the two CLEVE'S aci ...
Among the fundamental chemical transformations in organic synthesis, rearrangement has been recognized as powerful and reliable reactions for the construction of carbon-carbon or carbon-heteroatom bonds. Benefiting from the advance of the novel catalytic s ...
Lignin is one of the most promising sources of renewable aromatic hydrocarbons. Current methods for its extraction from lignocellulosic biomass—which include the kraft, sulfite, and organosolv processes—result in the rapid formation of carbon–carbon bonds, ...
To accelerate reactive events in mol. dynamics simulations we introduce a general bias potential scheme which depends only on the electronic degrees of freedom of the reactive system. This electronic reaction coordinate, which is expressed in terms of a pe ...
Among all CO2 electroreduction products, methane (CH4) and ethylene (C2H4) are two typical and valuable hydrocarbon products which are formed in two different pathways: hydrogenation and dimerization reactions of the same CO intermediate. Theoretical studi ...
