Thermal density functional theory is {commonly|generally|typically|frequently|normally|usually} {used|utilized|employed|utilised|applied|made use of} in simulations of warm dense matter, a {highly|extremely|very|hugely} energetic phase characterized by substantial thermal effects and by correlated electrons demanding quantum…
The host-guest doped {strategy|technique|method|approach|tactic} has been {widely|extensively|broadly} recognized as {an effective|an efficient} {method|technique|approach|strategy|system|process} to construct {room|space|area} temperature phosphorescence {materials|supplies|components}. {However|Nevertheless|Nonetheless|Even so|On the other hand|Having said that}, the {advantage|benefit} {of the|from…
Molecular switch {is one of the|is among the|is amongst the} {essential|important|crucial|vital|necessary|critical} functional units of molecular electronics. {Here|Right here}, we report {development|improvement} of new molecular switches {based on|according to|depending on|determined by}…
Our unsupervised clustering {technique|method|approach|strategy}, VOCCluster, prototyped in Python, handles {features|attributes|functions|characteristics|capabilities|options} of deconvolved GC-MS breath {data|information}. VOCCluster was {created|produced|developed|designed|made} from a heuristic ontology {based on|according to|depending on|determined by} the observation of…
{Considered|Regarded as|Deemed|Regarded|Viewed as|Thought of} the base material of millenary {building|developing|creating|constructing} systems in Mexico, hydrated lime has been traditionally {produced|created|made|developed} {since|because|given that|considering that|due to the fact|considering the fact that} pre-Hispanic {times|occasions|instances}.…
The identification and characterization of homoaromatic compounds bearing an interrupted p-system are {fundamental|basic} challenges for the understanding of electronic interactions in organic molecules. {This is|This really is|This can be|That is}…
Motivation: In silico prediction of protein-ligand binding {is a|is really a|is actually a|can be a|is often a|is usually a} hot {topic|subject} in computational chemistry and machine learning-based drug discovery, as…
Designing {efficient|effective} synthetic routes {for a|to get a|for any} target molecule remains {a major|a significant} challenge in organic synthesis. Atom environments are {ideal|perfect|best|excellent}, stand-alone, chemically meaningful {building|developing|creating|constructing} blocks {providing|supplying|offering|delivering|giving} a…
Salt imbalance in cells {is a|is really a|is actually a|can be a|is often a|is usually a} {major|significant|main|key|big|important} detrimental abiotic {stress|tension|anxiety|pressure|strain} which causes ionic toxicity and disrupts {important|essential|crucial|critical|significant|vital} cellular functions. To…
Neurodegenerative {diseases|illnesses|ailments} {such as|like|including|for example|for instance|which include} Alzheimer’s {diseases|illnesses|ailments} (AD) are {associated with|related to|connected with|linked to} progressive neuronal cell death {and a|along with a|as well as a|plus a|and also a|in…