FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000377274> ?p ?o ?g. }

• W2000377274 endingPage "18" @default.
• W2000377274 startingPage "1" @default.
• W2000377274 abstract "This work deals with the vibrational spectroscopy of O-Anisic acid (OAA) and Anisic acid (AA). The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with standard B3LYP/6-31G** method and basis set combinations. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical force field. The infrared and Raman spectra were also predicted from the calculated intensities. The effects of carbonyl and methyl substitutions on the structure and vibrational frequencies have been investigated. Comparison of simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. The 13 C and 1 H NMR chemical shifts of the DFA and CA molecules were calculated using the gauge-invariant-atomic orbital (GIAO) method in DMSO solution using IEF-PCM model and compared with experimental data." @default.
• W2000377274 created "2016-06-24" @default.
• W2000377274 creator A5057626537 @default.
• W2000377274 creator A5069437108 @default.
• W2000377274 creator A5070515391 @default.
• W2000377274 date "2013-01-01" @default.
• W2000377274 modified "2023-10-05" @default.
• W2000377274 title "Molecular Structure, NMR, HOMO, LUMO, and Vibrational Analysis of O-Anisic Acid and Anisic Acid Based on DFT Calculations" @default.
• W2000377274 cites W1650728208 @default.
• W2000377274 cites W1975010624 @default.
• W2000377274 cites W1975741211 @default.
• W2000377274 cites W1978694446 @default.
• W2000377274 cites W1983004639 @default.
• W2000377274 cites W1988982985 @default.
• W2000377274 cites W1989750184 @default.
• W2000377274 cites W2005926288 @default.
• W2000377274 cites W2008708918 @default.
• W2000377274 cites W2014568884 @default.
• W2000377274 cites W2014698996 @default.
• W2000377274 cites W2015561055 @default.
• W2000377274 cites W2030976617 @default.
• W2000377274 cites W2049301419 @default.
• W2000377274 cites W2054164390 @default.
• W2000377274 cites W2060861092 @default.
• W2000377274 cites W2061592494 @default.
• W2000377274 cites W2068559689 @default.
• W2000377274 cites W2077796804 @default.
• W2000377274 cites W2080085407 @default.
• W2000377274 cites W2080398766 @default.
• W2000377274 cites W2082278418 @default.
• W2000377274 cites W2101958915 @default.
• W2000377274 cites W3005440149 @default.
• W2000377274 cites W3118662308 @default.
• W2000377274 doi "https://doi.org/10.1155/2013/171735" @default.
• W2000377274 hasPublicationYear "2013" @default.
• W2000377274 type Work @default.
• W2000377274 sameAs 2000377274 @default.
• W2000377274 citedByCount "25" @default.
• W2000377274 countsByYear W20003772742015 @default.
• W2000377274 countsByYear W20003772742017 @default.
• W2000377274 countsByYear W20003772742018 @default.
• W2000377274 countsByYear W20003772742019 @default.
• W2000377274 countsByYear W20003772742020 @default.
• W2000377274 countsByYear W20003772742021 @default.
• W2000377274 countsByYear W20003772742022 @default.
• W2000377274 countsByYear W20003772742023 @default.
• W2000377274 crossrefType "journal-article" @default.
• W2000377274 hasAuthorship W2000377274A5057626537 @default.
• W2000377274 hasAuthorship W2000377274A5069437108 @default.
• W2000377274 hasAuthorship W2000377274A5070515391 @default.
• W2000377274 hasBestOaLocation W20003772741 @default.
• W2000377274 hasConcept C111429119 @default.
• W2000377274 hasConcept C113196181 @default.
• W2000377274 hasConcept C120665830 @default.
• W2000377274 hasConcept C121332964 @default.
• W2000377274 hasConcept C1276947 @default.
• W2000377274 hasConcept C14158195 @default.
• W2000377274 hasConcept C147597530 @default.
• W2000377274 hasConcept C147789679 @default.
• W2000377274 hasConcept C152365726 @default.
• W2000377274 hasConcept C153642686 @default.
• W2000377274 hasConcept C158355884 @default.
• W2000377274 hasConcept C178790620 @default.
• W2000377274 hasConcept C185592680 @default.
• W2000377274 hasConcept C193547582 @default.
• W2000377274 hasConcept C24123453 @default.
• W2000377274 hasConcept C32909587 @default.
• W2000377274 hasConcept C40003534 @default.
• W2000377274 hasConcept C4839761 @default.
• W2000377274 hasConcept C65956243 @default.
• W2000377274 hasConceptScore W2000377274C111429119 @default.
• W2000377274 hasConceptScore W2000377274C113196181 @default.
• W2000377274 hasConceptScore W2000377274C120665830 @default.
• W2000377274 hasConceptScore W2000377274C121332964 @default.
• W2000377274 hasConceptScore W2000377274C1276947 @default.
• W2000377274 hasConceptScore W2000377274C14158195 @default.
• W2000377274 hasConceptScore W2000377274C147597530 @default.
• W2000377274 hasConceptScore W2000377274C147789679 @default.
• W2000377274 hasConceptScore W2000377274C152365726 @default.
• W2000377274 hasConceptScore W2000377274C153642686 @default.
• W2000377274 hasConceptScore W2000377274C158355884 @default.
• W2000377274 hasConceptScore W2000377274C178790620 @default.
• W2000377274 hasConceptScore W2000377274C185592680 @default.
• W2000377274 hasConceptScore W2000377274C193547582 @default.
• W2000377274 hasConceptScore W2000377274C24123453 @default.
• W2000377274 hasConceptScore W2000377274C32909587 @default.
• W2000377274 hasConceptScore W2000377274C40003534 @default.
• W2000377274 hasConceptScore W2000377274C4839761 @default.
• W2000377274 hasConceptScore W2000377274C65956243 @default.
• W2000377274 hasLocation W20003772741 @default.
• W2000377274 hasLocation W20003772742 @default.
• W2000377274 hasOpenAccess W2000377274 @default.
• W2000377274 hasPrimaryLocation W20003772741 @default.
• W2000377274 hasRelatedWork W1779262232 @default.
• W2000377274 hasRelatedWork W2005270180 @default.
• W2000377274 hasRelatedWork W2105740696 @default.
• W2000377274 hasRelatedWork W2910638868 @default.
• W2000377274 hasRelatedWork W3035263634 @default.

• next