Investigating functional performance and substituent effect in modelling molecular structure, UV-visible spectra, and optical properties of D-π-A conjugated organic dye molecules: a DFT and TD-DFT study
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-04824-y
Abstract: The molecular structure, UV-visible spectra, and optical properties of D-π-A conjugated organic dye molecules (Disperse Red 1 (DR1) and Disperse Red 73 (DR73)) were analyzed using density functional theory (DFT) and time-dependent density functional theory… read more here.
Keywords: substituent effect; dft; response; effect ... See more keywords
Full visible spectra emission introduced by crystal-site engineering in β-Ca3(PO4)2-type solid solution phosphors for high quality white light emitting diodes application
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2019.121976
Abstract: Abstract Exploring the phosphors with full visible spectra emission in a single system to realize versatile color output is highly desired but still challenging for high quality phosphor converted white light emitting diodes (WLEDs). Here,… read more here.
Keywords: visible spectra; solid solution; spectra emission; high quality ... See more keywords
FT-IR, FT-Raman and UV-visible spectra of motrilin acetogenin isolated from Annona cherimolia
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.06.107
Abstract: Abstract Annonaceous acetogenin (ACG), motrilin was experimentally isolated and characterized by using the FT-IR and FT-Raman spectra in the solid state and by UV-visible spectrum in methanol solution. The main bands observed in the vibrational… read more here.
Keywords: methanol solution; visible spectra; acetogenin; motrilin ... See more keywords
Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.127534
Abstract: Abstract Potassium 1-fluorobenzoyltrifluoroborate (FBTFB) salt was characterized using Fourier Transformed Infrared (FT-IR) and Raman solid-state spectroscopies as well as ultraviolet–visible spectroscopy in aqueous solution. The functional hybrid B3LYP with the 6-311++G** basis set have optimized… read more here.
Keywords: spectroscopic studies; salt; raman visible; studies potassium ... See more keywords
Evidences of ultraviolet visible spectra of hydrogen sulfide scavenging trans-crotonaldehyde induced by hydrogen peroxide through mitochondria of rat heart
Sign Up to like & getrecommendations! Published in 2017 at "Spectroscopy Letters"
DOI: 10.1080/00387010.2017.1390767
Abstract: ABSTRACT Evidences of ultraviolet visible spectra of hydrogen sulfide scavenging trans-crotonaldehyde (TCA) induced by hydrogen peroxide through mitochondria were probed for the first time. TCA was induced by hydrogen peroxide through mitochondria. When sodium hydrosulfide… read more here.
Keywords: visible spectra; ultraviolet visible; hydrogen; induced hydrogen ... See more keywords
An Investigation on Inter-Calibrating EMI/GF-5 With TROPOMI/S5p in Ultraviolet–Visible Spectra
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Transactions on Geoscience and Remote Sensing"
DOI: 10.1109/tgrs.2022.3214828
Abstract: Inter-calibration is a general method to harmonize the in-orbit spectral radiance of the target instrument with the reference instrument in the visible and infrared spectra. This study proposes and applies an inter-calibration method to the… read more here.
Keywords: tropomi s5p; inter; ultraviolet visible; method ... See more keywords