Matches in SemOpenAlex for { <https://semopenalex.org/work/W3199688915> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W3199688915 abstract "In this computational investigation on 4-(2-Oxo-2H-benzo[h]chromen-4-ylmethoxy)-benzaldehyde benzofuran derivative, the compound is initially optimized to get the clear structure,then it is used for further investigation. The highest occupied molecular orbitals, lowest unoccupied molecular orbitals, theoretical bandgap energy, electrostatic potential map such as total electron density and molecular electrostatic potential map were estimated at the ground state. From the molecular orbital structure, the HOMO value is found to be E=-7.119 eV and the LUMO value is found to be E= -4.999 eV, In view of that, bandgap energy is found to have 2.35 eV in the ground state. The electrostatic potential maps in both the cases revealed the compound showed the most electronegative site at oxygen attached group of the titled benzofuran derivative and showed nucleophilic site at 9C, 10C, 11C, 12C, 14C, 15C, and 18C atoms of the benzofuran derivative." @default.
- W3199688915 created "2021-09-27" @default.
- W3199688915 creator A5018094552 @default.
- W3199688915 creator A5021967960 @default.
- W3199688915 creator A5062373361 @default.
- W3199688915 date "2021-01-01" @default.
- W3199688915 modified "2023-09-25" @default.
- W3199688915 title "Computational investigation on 4-(2-Oxo-2H-benzo[h] chromen-4-ylmethoxy)-benzaldehyde benzofuran coumarin derivative" @default.
- W3199688915 cites W1994814522 @default.
- W3199688915 cites W2762407404 @default.
- W3199688915 cites W2801240657 @default.
- W3199688915 cites W2946856847 @default.
- W3199688915 cites W2952379755 @default.
- W3199688915 cites W2957485966 @default.
- W3199688915 cites W2963953770 @default.
- W3199688915 cites W654921747 @default.
- W3199688915 doi "https://doi.org/10.1063/5.0060855" @default.
- W3199688915 hasPublicationYear "2021" @default.
- W3199688915 type Work @default.
- W3199688915 sameAs 3199688915 @default.
- W3199688915 citedByCount "0" @default.
- W3199688915 crossrefType "proceedings-article" @default.
- W3199688915 hasAuthorship W3199688915A5018094552 @default.
- W3199688915 hasAuthorship W3199688915A5021967960 @default.
- W3199688915 hasAuthorship W3199688915A5062373361 @default.
- W3199688915 hasBestOaLocation W31996889151 @default.
- W3199688915 hasConcept C106159729 @default.
- W3199688915 hasConcept C111771559 @default.
- W3199688915 hasConcept C121332964 @default.
- W3199688915 hasConcept C139358910 @default.
- W3199688915 hasConcept C14158195 @default.
- W3199688915 hasConcept C147120987 @default.
- W3199688915 hasConcept C147597530 @default.
- W3199688915 hasConcept C161790260 @default.
- W3199688915 hasConcept C162324750 @default.
- W3199688915 hasConcept C178790620 @default.
- W3199688915 hasConcept C181966813 @default.
- W3199688915 hasConcept C184779094 @default.
- W3199688915 hasConcept C185592680 @default.
- W3199688915 hasConcept C189394030 @default.
- W3199688915 hasConcept C26873012 @default.
- W3199688915 hasConcept C2776589655 @default.
- W3199688915 hasConcept C2779692420 @default.
- W3199688915 hasConcept C32909587 @default.
- W3199688915 hasConcept C62520636 @default.
- W3199688915 hasConcept C69523127 @default.
- W3199688915 hasConcept C71240020 @default.
- W3199688915 hasConceptScore W3199688915C106159729 @default.
- W3199688915 hasConceptScore W3199688915C111771559 @default.
- W3199688915 hasConceptScore W3199688915C121332964 @default.
- W3199688915 hasConceptScore W3199688915C139358910 @default.
- W3199688915 hasConceptScore W3199688915C14158195 @default.
- W3199688915 hasConceptScore W3199688915C147120987 @default.
- W3199688915 hasConceptScore W3199688915C147597530 @default.
- W3199688915 hasConceptScore W3199688915C161790260 @default.
- W3199688915 hasConceptScore W3199688915C162324750 @default.
- W3199688915 hasConceptScore W3199688915C178790620 @default.
- W3199688915 hasConceptScore W3199688915C181966813 @default.
- W3199688915 hasConceptScore W3199688915C184779094 @default.
- W3199688915 hasConceptScore W3199688915C185592680 @default.
- W3199688915 hasConceptScore W3199688915C189394030 @default.
- W3199688915 hasConceptScore W3199688915C26873012 @default.
- W3199688915 hasConceptScore W3199688915C2776589655 @default.
- W3199688915 hasConceptScore W3199688915C2779692420 @default.
- W3199688915 hasConceptScore W3199688915C32909587 @default.
- W3199688915 hasConceptScore W3199688915C62520636 @default.
- W3199688915 hasConceptScore W3199688915C69523127 @default.
- W3199688915 hasConceptScore W3199688915C71240020 @default.
- W3199688915 hasLocation W31996889151 @default.
- W3199688915 hasOpenAccess W3199688915 @default.
- W3199688915 hasPrimaryLocation W31996889151 @default.
- W3199688915 hasRelatedWork W13038336 @default.
- W3199688915 hasRelatedWork W15464901 @default.
- W3199688915 hasRelatedWork W1630809 @default.
- W3199688915 hasRelatedWork W16736348 @default.
- W3199688915 hasRelatedWork W22171101 @default.
- W3199688915 hasRelatedWork W22399459 @default.
- W3199688915 hasRelatedWork W24404088 @default.
- W3199688915 hasRelatedWork W25668515 @default.
- W3199688915 hasRelatedWork W26314436 @default.
- W3199688915 hasRelatedWork W2854193 @default.
- W3199688915 isParatext "false" @default.
- W3199688915 isRetracted "false" @default.
- W3199688915 magId "3199688915" @default.
- W3199688915 workType "article" @default.