FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3108276878> ?p ?o ?g. }

• W3108276878 endingPage "329" @default.
• W3108276878 startingPage "318" @default.
• W3108276878 abstract "In this article, the characteristic absorption spectra of Vanillin and ortho-Vanillin were investigated by terahertz time-domain spectroscopy (THz-TDS) in the range of 0.4–2.0 THz. Using quantum chemistry tools, density functional theory calculations were performed to obtain the theoretical THz spectra. To better understand the THz absorption spectra on a molecular level and to systematically and comprehensively interpret the origin of the characteristic absorption peaks, the vibrational characteristics and the intermolecular weak interactions of these two compounds were analyzed using a cluster model. We used the vibrational mode automatic relevance determination method to assign the vibrational modes of all absorption peaks and provide the percentage contribution of these modes. The vibrational modes of Vanillin and ortho-Vanillin were mainly dihedral angle torsion. The intermolecular weak interactions were analyzed using the independent gradient model based on Hirshfeld partition of molecular density method. The results indicated that the weak interaction types of Vanillin and ortho-Vanillin were dominated by van der Waals interaction. This work has demonstrated that using THz-TDS combined with quantum chemical calculations is an effective way to identify and investigate isomers. This method has significant potential applications for exploring the relationship between the biomolecular structure and the material performance." @default.
• W3108276878 created "2020-12-07" @default.
• W3108276878 creator A5013085238 @default.
• W3108276878 creator A5024818901 @default.
• W3108276878 creator A5040009629 @default.
• W3108276878 creator A5083399200 @default.
• W3108276878 date "2021-05-01" @default.
• W3108276878 modified "2023-10-17" @default.
• W3108276878 title "Analysis of Intermolecular Weak Interactions and Vibrational Characteristics for Vanillin and Ortho-Vanillin by Terahertz Spectroscopy and Density Functional Theory" @default.
• W3108276878 cites W1789378032 @default.
• W3108276878 cites W1833709832 @default.
• W3108276878 cites W1968240516 @default.
• W3108276878 cites W1983401717 @default.
• W3108276878 cites W1987957816 @default.
• W3108276878 cites W2002913289 @default.
• W3108276878 cites W2002954610 @default.
• W3108276878 cites W2011314414 @default.
• W3108276878 cites W2024629897 @default.
• W3108276878 cites W2029667189 @default.
• W3108276878 cites W2038729046 @default.
• W3108276878 cites W2040890751 @default.
• W3108276878 cites W2062279656 @default.
• W3108276878 cites W2069610939 @default.
• W3108276878 cites W2076772062 @default.
• W3108276878 cites W2092157292 @default.
• W3108276878 cites W2132525235 @default.
• W3108276878 cites W2160397925 @default.
• W3108276878 cites W2231839357 @default.
• W3108276878 cites W2319902168 @default.
• W3108276878 cites W2335710537 @default.
• W3108276878 cites W2540886018 @default.
• W3108276878 cites W2595530638 @default.
• W3108276878 cites W2607262922 @default.
• W3108276878 cites W2613323886 @default.
• W3108276878 cites W2692515715 @default.
• W3108276878 cites W2754173746 @default.
• W3108276878 cites W2775289820 @default.
• W3108276878 cites W2904936090 @default.
• W3108276878 cites W2913584601 @default.
• W3108276878 cites W2935344533 @default.
• W3108276878 cites W2971816885 @default.
• W3108276878 cites W2983363940 @default.
• W3108276878 cites W2995522428 @default.
• W3108276878 cites W3010150667 @default.
• W3108276878 cites W4244274462 @default.
• W3108276878 cites W814008233 @default.
• W3108276878 doi "https://doi.org/10.1109/tthz.2020.3039462" @default.
• W3108276878 hasPublicationYear "2021" @default.
• W3108276878 type Work @default.
• W3108276878 sameAs 3108276878 @default.
• W3108276878 citedByCount "10" @default.
• W3108276878 countsByYear W31082768782021 @default.
• W3108276878 countsByYear W31082768782022 @default.
• W3108276878 countsByYear W31082768782023 @default.
• W3108276878 crossrefType "journal-article" @default.
• W3108276878 hasAuthorship W3108276878A5013085238 @default.
• W3108276878 hasAuthorship W3108276878A5024818901 @default.
• W3108276878 hasAuthorship W3108276878A5040009629 @default.
• W3108276878 hasAuthorship W3108276878A5083399200 @default.
• W3108276878 hasConcept C107816215 @default.
• W3108276878 hasConcept C121332964 @default.
• W3108276878 hasConcept C147597530 @default.
• W3108276878 hasConcept C152365726 @default.
• W3108276878 hasConcept C153642686 @default.
• W3108276878 hasConcept C159467904 @default.
• W3108276878 hasConcept C166950319 @default.
• W3108276878 hasConcept C178790620 @default.
• W3108276878 hasConcept C185592680 @default.
• W3108276878 hasConcept C192562407 @default.
• W3108276878 hasConcept C2777340834 @default.
• W3108276878 hasConcept C32891209 @default.
• W3108276878 hasConcept C32909587 @default.
• W3108276878 hasConcept C41999313 @default.
• W3108276878 hasConcept C49040817 @default.
• W3108276878 hasConcept C62520636 @default.
• W3108276878 hasConcept C77887725 @default.
• W3108276878 hasConceptScore W3108276878C107816215 @default.
• W3108276878 hasConceptScore W3108276878C121332964 @default.
• W3108276878 hasConceptScore W3108276878C147597530 @default.
• W3108276878 hasConceptScore W3108276878C152365726 @default.
• W3108276878 hasConceptScore W3108276878C153642686 @default.
• W3108276878 hasConceptScore W3108276878C159467904 @default.
• W3108276878 hasConceptScore W3108276878C166950319 @default.
• W3108276878 hasConceptScore W3108276878C178790620 @default.
• W3108276878 hasConceptScore W3108276878C185592680 @default.
• W3108276878 hasConceptScore W3108276878C192562407 @default.
• W3108276878 hasConceptScore W3108276878C2777340834 @default.
• W3108276878 hasConceptScore W3108276878C32891209 @default.
• W3108276878 hasConceptScore W3108276878C32909587 @default.
• W3108276878 hasConceptScore W3108276878C41999313 @default.
• W3108276878 hasConceptScore W3108276878C49040817 @default.
• W3108276878 hasConceptScore W3108276878C62520636 @default.
• W3108276878 hasConceptScore W3108276878C77887725 @default.
• W3108276878 hasFunder F4320321001 @default.
• W3108276878 hasFunder F4320322768 @default.
• W3108276878 hasIssue "3" @default.
• W3108276878 hasLocation W31082768781 @default.
• W3108276878 hasOpenAccess W3108276878 @default.

• next