Converting carbon dioxide (CO2) into valuable products is one of the most important processes for a sustainable society. Especially, the electrochemical CO2 reduction reaction (CO2RR) offers an effective means, but…
{Using|Utilizing|Making use of|Employing|Working with|Applying} the ab initio {multiple|numerous|several|a number of|many|various} cloning (AIMC) {method|technique|approach|strategy|system|process}, {fully|totally|completely} quantum dynamics {were|had been|have been} simulated for imidazole and its structural isomer pyrazole {along with|together with|in…
Molecular motions are ubiquitous in nature and they immutably play intrinsic roles in all actions. However, exploring appropriate models to decipher molecular motions is an extremely important but very challenging…
An unprecedented amino-group assisted C–H carboxylation of 2-arylanilines with CO2 {under|below|beneath} redox-neutral {conditions|circumstances|situations} {using|utilizing|making use of|employing|working with|applying} a Rhodium(I)-catalyst has been {developed|created}. This reaction was promoted by a phosphine ligand…
Optical imaging of changes in membrane potential of living cells can be achieved by the means of fluorescent voltage sensitive dyes (VSDs). A particularly challenging task is to efficiently deliver…
Hybrid or “extended” symmetry-adapted perturbation theory (XSAPT) replaces traditional SAPT’s treatment of dispersion with better-performing alternatives, while at the same time extending two-body (dimer) SAPT to a many-body treatment of…
Human glycans are primarily composed of nine common sugar building blocks. On the other hand, several hundred monosaccharides have been discovered in bacteria and most of them are not readily…
The Mo/W containing metalloenzyme formate dehydrogenase (FDH) is an efficient and selective natural catalyst which reversibly converts CO2 to formate under ambient conditions. A greater understanding of the role of…
Novel copolymers of vinyl acetate and oxy ring-substituted ethyl 2-cyano-3-phenyl-2-propenoates, RPhCH=C(CN)CO2C2H5 (where R is 2-methoxy, 3-methoxy, 4-methoxy, 2-ethoxy, 4-ethoxy, 4-propoxy, 4-butoxy, 2,3-dimethoxy, 2,4-dimethoxy, 2,5-dimethoxy, 3,4-dimethoxy, 2,3,4-trimethoxy, 2,4,5-trimethoxy, 2,4,6-trimethoxy, 3,4,5-trimethoxy) were…
This study examined the formation mechanisms of singlet (rhombic) and triplet (linear) C4 with acetylene {by using|by utilizing} {accurate|correct|precise} ab initio CCSD(T)/cc-pVTZ/B3LYP/6-311G(d,p) calculations, followed by a kinetic {analysis|evaluation} of {various|numerous|different|a…