The molecular reorganization {energy|power} $\lambda$ strongly influences the charge carrier mobility of organic semiconductors and is {therefore|consequently|as a result|for that reason|thus|hence} {an important|an essential|a crucial|a vital} target for molecular {design|style|design…
{While|Whilst|Although|Even though|When|Though} many-body wavefunction theory has {long|lengthy|extended} been established as a {powerful|potent|effective|strong|highly effective} framework for {highly|extremely|very|hugely} {accurate|correct|precise} molecular quantum chemistry, these {methods|techniques|strategies|approaches|procedures|solutions} have only {fairly|pretty|relatively} {recently|lately|not too long ago} been…
The physico-chemical properties of chiral propeller-shaped PAHs (propellerenes) are strongly dependent on their conformational behavior. A sound, physical model {to understand|to know} why propellerenes exhibit a conformation preference for either…
The catalytic reduction of CO2/CO is {key|important|crucial|essential} to {reducing|decreasing|lowering|minimizing} carbonfootprint and {producing|creating|generating|making} the chemical {building|developing|creating|constructing} blocksneeded for society. {In this|Within this} {work|function|perform|operate}, we performed a theoreticalinvestigation {of the|from the|in the|on…
Molecular simulations, {including|such as|which includes|like} quantum mechanics (QM), molecular mechanics (MM), and multiscale QM/MM modeling, {have been|happen to be|have already been} extensively applied {to understand|to know} the mechanism of enzyme…
Hybrid structures incorporating {different|various|distinct|diverse|unique|distinctive} organic and inorganic constituents are emerging as {a very|a really|an extremely|an incredibly} promising class of {materials|supplies|components} {since|because|given that|considering that|due to the fact|considering the fact that} they…
A mild and {simple|easy|straightforward|basic|uncomplicated|very simple} protocol for the synthesis of 8-azabicyclooctane and 9-azabicyclononane derivatives is described. It {provides|offers|gives|supplies|delivers} these {valuable|beneficial|useful|worthwhile|precious|important} bicyclic alkaloid skeletons in {good|great|excellent|very good|fantastic|superior} yields and {high|higher} levels…
The synthesis of nanohoop rotaxanes {via|by way of|through|by means of} twodifferent active template {strategies|methods|techniques|approaches|tactics} is reported. By preparingtriazole-embedded rotaxanes, the observation of metal binding events in bothorganic and aqueous {conditions|circumstances|situations}…
Chemical functionalization of molecular two-dimensional (2D) {materials|supplies|components} towards the assembly of hierarchical functional nanostructures is of {great|fantastic|excellent|wonderful|good|terrific} {importance|significance|value} for nanotechnology {including|such as|which includes|like} {areas|locations|places|regions} like artificial photocatalytic systems, nanobiosensors or…
Sirtuin {5|five} (SIRT5) {is a|is really a|is actually a|can be a|is often a|is usually a} protein lysine deacylase enzyme that regulates diverse biology by hydrolyzing e-N-carboxyacyllysine posttranslational modifications {in the|within…