The graph shows a comparison of conventional offline analysis and online FT-NIR. It is based on real data of a customer in the chemical industry, where the return on investment (ROI) was realized within 7 months and substantial profit gains were achieved in the following years. Cost-Benefit-...
DFT FT-IR FT-Raman MEP Molecular docking 1. Introduction Density functional theory (DFT) is most important methodology for theoretically predict the behaviors of organic compounds utilizing B3LYP/6-311G (d,p) basis set. This provides an excellent clarity on the geometry, molecular polarization, mo...
Chemical bonding by ELF and LOL, inter and intra-fragments interactions have been explained by scatter graph. Furthermore, acceptor and donor orbitals and nucleophilic and electrophilic interactions were explained using NBO and Fukui analyses. Chemically reactive site has been shown by MEP due to ...
The hydrogenation and dehydrogenation of isobutene on Pt(111) monitored by IR–visible sum frequency generation and gas chromotography The hydrogenation of isobutene (2-methylpropene) has been monitored near ambient pressure over a Pt(111) single crystal at 295 K by SFG vibrational spectro... PS...
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MOSFET Switching Characteristics The first term represents the conduction or IR losses when the MOSFET is ON while the second term represents the switching losses. The third term is the loss associated with the control and synchronous MOSFET output charge when the control MOSFET turns ON. The ...
HP—Manuscript preparation, data analysis, graph, and figures preparation. BP—Data analysis, performed triplicate data, graph preparation. MP—Performed triplicate data, figures preparation, and Data analysis. HP—Wrote the main manuscript text, Data analysis. GD—Wrote the main manuscript text and ...
Oncology is another field adopting innovative AI solutions. AI software solutions are being introduced in imaging centres to enable more accurate screening for the three most prevalent cancers: breast, lung and prostate. With mammographies, for example, AI technology is being used to automatically id...
The lines presented in graph are for eyes guidance only. 3.4. Hydration of oligoether side group Previous studies showed that it is possible to distinguish lines sensitive to hydration of different parts of dangling oligoether groups in the IR spectrum of PMEO2MA [26]. Lines 1105 cm−1 ...
This was juxtaposed with the theoretical IR in five different solvents: benzene, chloroform, ethanol, Dimethyl sulfoxide and water. It is pertinent to note that the essence of using different solvents is to mitigate the impact of polarity of solvent on IR absorptivity of the molecule as it has...