In QSPR research, topological descriptors combined with entropy measures may be a more effective tool. Quality tests of spectrum-based valency and distance-based molecular descriptors for polycyclic aromatic and benzenoid hydrocarbons with applications to carbon nanotubes and nanocones were conducted by Ha...
Screen and Evaluate, andAssemblesteps, as shown here for Zn tetramer-pcu MOFs (see Table1for unique linker fragments of Zn tetramer node). First, we generate new linkers via theDiffuse and Denoisestep. We then add hydrogen atoms to ensure correct valency of the generated linkers. Next, we ...
In QSPR research, topological descriptors combined with entropy measures may be a more effective tool. Quality tests of spectrum-based valency and distance-based molecular descriptors for polycyclic aromatic and benzenoid hydrocarbons with applications to carbon nanotubes and nanocones were conducted by Ha...
In which,\(x\)is the degree of dissociation [−],\(z\)is the charge; negative for acidic site and positive for basic site,\(pH\)is, negative logarithm to base 10 of hydrogen ion concentration,\(pK\)is negative logarithm to base 10 of the dissociation constant of surface functional g...
The Seebeck coefficient of the CoCp2@SWCNT film amounted to a negative value of −41.8 μV K−1 at 320 K, which was assigned to an n-type semiconductor. The empty SWCNTs showed a positive Seebeck coefficient of 45.3 μV K−1 at the same temperature, which corresponds to p-type ...
If the NPV was positive, then the project was considered valuable; if the NPV was negative, then the project was considered unprofitable. 𝑁𝑃𝑉=∑𝑖=1𝑖=𝑛𝐶𝑖(1+𝑟)𝑖−𝐶0NPV=∑i=1i=nCi1+ri−C0 where C0 is the initial investment, Cn is the n year cash ...
On noble metals (e.g., Pt, Ir, Au), the region of potential in which the OER is studied is far removed from the potential of zero charge in the positive direction. Thus, only negatively charged impurities will be heavily adsorbed, and the nature of the anion in the electrolyte will in...
Harnessing solar energy has been an enormous blessing as it has reduced the burden on conventional generators and has also helped in lessening the negative impacts of non-renewable sources of energy. Here, we look into some structural configurations of dye-sensitized solar cells (DSSCs) that util...
In the modern world, one of the key problems that concern humanity is environmental pollution, which has become a growing problem and is of serious negative effects. In the modern world, one of the key problems that concern humanity is the reduction in environmental pollution, especially of the...
Introduction Chloramphenicol (CAP) as a broad-spectrum antibiotic is commonly used as a human antibiotic and veterinary drug due to its low cost and excellent antibacterial effects against many Gram-positive and Gram-negative bacteria [1,2]. However, CAP has many dangerous side-effects, including ...