Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387407711> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W4387407711 endingPage "26" @default.
- W4387407711 startingPage "15" @default.
- W4387407711 abstract "In this study, the theoretical spectroscopic and some electronic properties of MMP and FMP compounds were investigated and the obtained theoretical results were compared with some experimental values. For this purpose, firstly, MMP and FMP compounds were optimized by DFT method using the B3LYP functional and the 6-311G++(d,p) basis set. With the help of the optimized structure obtained, the chemical shift values of H-NMR and 13C-NMR were calculated in the gas phase by the Gaussian G09 (Linux) and Gauss View 5.0 programs according to the GIAO method. According to the results obtained, it was seen that the theoretical values were compatible with the experimental values. In the theoretical part of the study, the IR frequency values of the studied compounds were calculated using the same method and basis set, and vibration frequencies were marked. Finally, the nonlinear optical properties of the compounds of interest; Polarizability and hyperpolarizability values were calculated by making polar calculations in the single point energy calculation. As a result of the calculations, the energy band gaps between the HOMO and LUMO orbitals of MMP and FMP are 1.34 eV and 3.64 eV. First static hyperpolarizability of MMP and FMP were found as 29273.7 x10-33 and 26500.5 x10-33 esu, repectively." @default.
- W4387407711 created "2023-10-07" @default.
- W4387407711 creator A5055395935 @default.
- W4387407711 creator A5055531847 @default.
- W4387407711 creator A5093018227 @default.
- W4387407711 date "2023-10-06" @default.
- W4387407711 modified "2023-10-08" @default.
- W4387407711 title "Investigation Of Spectroscopic And Electronic Properties Of Some Schiff Basesderived From 2-Hydroxy-3-Methoxy-5-Nitrobenzaldehyde By Dft Method" @default.
- W4387407711 cites W1488648514 @default.
- W4387407711 cites W1972300188 @default.
- W4387407711 cites W1981258947 @default.
- W4387407711 cites W1988982985 @default.
- W4387407711 cites W2023449587 @default.
- W4387407711 cites W2024974231 @default.
- W4387407711 cites W2054164390 @default.
- W4387407711 cites W2077026675 @default.
- W4387407711 cites W2078493733 @default.
- W4387407711 cites W2084206392 @default.
- W4387407711 cites W2175414931 @default.
- W4387407711 cites W2567599066 @default.
- W4387407711 cites W2613904356 @default.
- W4387407711 cites W2619997391 @default.
- W4387407711 cites W2736802277 @default.
- W4387407711 cites W327762619 @default.
- W4387407711 cites W4206552648 @default.
- W4387407711 doi "https://doi.org/10.37394/232023.2023.3.3" @default.
- W4387407711 hasPublicationYear "2023" @default.
- W4387407711 type Work @default.
- W4387407711 citedByCount "0" @default.
- W4387407711 crossrefType "journal-article" @default.
- W4387407711 hasAuthorship W4387407711A5055395935 @default.
- W4387407711 hasAuthorship W4387407711A5055531847 @default.
- W4387407711 hasAuthorship W4387407711A5093018227 @default.
- W4387407711 hasBestOaLocation W43874077111 @default.
- W4387407711 hasConcept C121332964 @default.
- W4387407711 hasConcept C139287275 @default.
- W4387407711 hasConcept C14158195 @default.
- W4387407711 hasConcept C147120987 @default.
- W4387407711 hasConcept C147597530 @default.
- W4387407711 hasConcept C147789679 @default.
- W4387407711 hasConcept C152365726 @default.
- W4387407711 hasConcept C163111631 @default.
- W4387407711 hasConcept C178790620 @default.
- W4387407711 hasConcept C185592680 @default.
- W4387407711 hasConcept C189394030 @default.
- W4387407711 hasConcept C2780694488 @default.
- W4387407711 hasConcept C32909587 @default.
- W4387407711 hasConcept C62520636 @default.
- W4387407711 hasConcept C65956243 @default.
- W4387407711 hasConcept C71240020 @default.
- W4387407711 hasConceptScore W4387407711C121332964 @default.
- W4387407711 hasConceptScore W4387407711C139287275 @default.
- W4387407711 hasConceptScore W4387407711C14158195 @default.
- W4387407711 hasConceptScore W4387407711C147120987 @default.
- W4387407711 hasConceptScore W4387407711C147597530 @default.
- W4387407711 hasConceptScore W4387407711C147789679 @default.
- W4387407711 hasConceptScore W4387407711C152365726 @default.
- W4387407711 hasConceptScore W4387407711C163111631 @default.
- W4387407711 hasConceptScore W4387407711C178790620 @default.
- W4387407711 hasConceptScore W4387407711C185592680 @default.
- W4387407711 hasConceptScore W4387407711C189394030 @default.
- W4387407711 hasConceptScore W4387407711C2780694488 @default.
- W4387407711 hasConceptScore W4387407711C32909587 @default.
- W4387407711 hasConceptScore W4387407711C62520636 @default.
- W4387407711 hasConceptScore W4387407711C65956243 @default.
- W4387407711 hasConceptScore W4387407711C71240020 @default.
- W4387407711 hasLocation W43874077111 @default.
- W4387407711 hasOpenAccess W4387407711 @default.
- W4387407711 hasPrimaryLocation W43874077111 @default.
- W4387407711 hasRelatedWork W1638955569 @default.
- W4387407711 hasRelatedWork W1974316225 @default.
- W4387407711 hasRelatedWork W1997263767 @default.
- W4387407711 hasRelatedWork W2004501070 @default.
- W4387407711 hasRelatedWork W2030784237 @default.
- W4387407711 hasRelatedWork W2034006637 @default.
- W4387407711 hasRelatedWork W2040283723 @default.
- W4387407711 hasRelatedWork W2080078245 @default.
- W4387407711 hasRelatedWork W2172069867 @default.
- W4387407711 hasRelatedWork W2313029283 @default.
- W4387407711 hasVolume "3" @default.
- W4387407711 isParatext "false" @default.
- W4387407711 isRetracted "false" @default.
- W4387407711 workType "article" @default.