Matches in SemOpenAlex for { <https://semopenalex.org/work/W2317355305> ?p ?o ?g. }
Showing items 1 to 66 of
66
with 100 items per page.
- W2317355305 endingPage "682" @default.
- W2317355305 startingPage "678" @default.
- W2317355305 abstract "The organophosphate pesticides,parathion and methyl-parathion,are studied in this paper.Their ground-state configurations are optimized by the AM1 semi-empirical method of the quantum chemistry.Then,the ground-state configurations are optimized to the excited states configurations by the method of single excited interactions CIS.On this basis,the absorption spectra of their ground-state configurations and the fluorescence spectra of their excited-state are computed on the level of B3LYP/6-31+G(d),using the time dependent density functional theory(TD-DTF).The imaginary frequency does not appear from the vibration analysis of the optimized ground-state configurations.The computed spectra are compared with the spectra from that of the experiments using the English Edinburgh FLS920P spectrometer.The results show that they are coincided and the optimizations above are reasonable.This study provides theoretical support on the pesticide detection." @default.
- W2317355305 created "2016-06-24" @default.
- W2317355305 creator A5011342970 @default.
- W2317355305 creator A5013325793 @default.
- W2317355305 creator A5016895865 @default.
- W2317355305 creator A5025362696 @default.
- W2317355305 date "2012-01-01" @default.
- W2317355305 modified "2023-10-05" @default.
- W2317355305 title "Study of Absorption and Fluorescence Spectra of Two Organophosphate Pesticides" @default.
- W2317355305 doi "https://doi.org/10.3788/fgxb20123306.0678" @default.
- W2317355305 hasPublicationYear "2012" @default.
- W2317355305 type Work @default.
- W2317355305 sameAs 2317355305 @default.
- W2317355305 citedByCount "0" @default.
- W2317355305 crossrefType "journal-article" @default.
- W2317355305 hasAuthorship W2317355305A5011342970 @default.
- W2317355305 hasAuthorship W2317355305A5013325793 @default.
- W2317355305 hasAuthorship W2317355305A5016895865 @default.
- W2317355305 hasAuthorship W2317355305A5025362696 @default.
- W2317355305 hasConcept C107872376 @default.
- W2317355305 hasConcept C113196181 @default.
- W2317355305 hasConcept C120665830 @default.
- W2317355305 hasConcept C121332964 @default.
- W2317355305 hasConcept C125287762 @default.
- W2317355305 hasConcept C159985019 @default.
- W2317355305 hasConcept C161176658 @default.
- W2317355305 hasConcept C185592680 @default.
- W2317355305 hasConcept C192562407 @default.
- W2317355305 hasConcept C2776588719 @default.
- W2317355305 hasConcept C6557445 @default.
- W2317355305 hasConcept C86803240 @default.
- W2317355305 hasConcept C91881484 @default.
- W2317355305 hasConceptScore W2317355305C107872376 @default.
- W2317355305 hasConceptScore W2317355305C113196181 @default.
- W2317355305 hasConceptScore W2317355305C120665830 @default.
- W2317355305 hasConceptScore W2317355305C121332964 @default.
- W2317355305 hasConceptScore W2317355305C125287762 @default.
- W2317355305 hasConceptScore W2317355305C159985019 @default.
- W2317355305 hasConceptScore W2317355305C161176658 @default.
- W2317355305 hasConceptScore W2317355305C185592680 @default.
- W2317355305 hasConceptScore W2317355305C192562407 @default.
- W2317355305 hasConceptScore W2317355305C2776588719 @default.
- W2317355305 hasConceptScore W2317355305C6557445 @default.
- W2317355305 hasConceptScore W2317355305C86803240 @default.
- W2317355305 hasConceptScore W2317355305C91881484 @default.
- W2317355305 hasIssue "6" @default.
- W2317355305 hasLocation W23173553051 @default.
- W2317355305 hasOpenAccess W2317355305 @default.
- W2317355305 hasPrimaryLocation W23173553051 @default.
- W2317355305 hasRelatedWork W1526002325 @default.
- W2317355305 hasRelatedWork W2275645512 @default.
- W2317355305 hasRelatedWork W2374311248 @default.
- W2317355305 hasRelatedWork W2376294481 @default.
- W2317355305 hasRelatedWork W3043146952 @default.
- W2317355305 hasRelatedWork W3143001910 @default.
- W2317355305 hasRelatedWork W3147677841 @default.
- W2317355305 hasRelatedWork W3200550978 @default.
- W2317355305 hasRelatedWork W4200230520 @default.
- W2317355305 hasRelatedWork W2583704204 @default.
- W2317355305 hasVolume "33" @default.
- W2317355305 isParatext "false" @default.
- W2317355305 isRetracted "false" @default.
- W2317355305 magId "2317355305" @default.
- W2317355305 workType "article" @default.