FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2210366445> ?p ?o ?g. }

• W2210366445 abstract "The crystal structure of L-glutamine is stabilized by a three-dimensional network of intermolecular hydrogen bonds. We utilize plane-wave density functional theory lattice-dynamics calculations within the generalized-gradient approximation (GGA), Perdew–Burke–Ernzerhof (PBE), PBE for solids (PBEsol), PBE with Wu–Cohen exchange (WC), and dispersion-corrected PBE, to investigate the effect of these intermolecular contacts on the absorption spectra of glutamine in the terahertz frequency range. Among these calculations, the solid-state simulated results obtained using the WC method exhibit a good agreement with the measured absorption spectra, and the absorption features are assigned with the help of WC. This indicates that the vibrational modes of glutamine were related to the combination of intramolecular and intermolecular motions, the intramolecular modes were dominated by rocking or torsion involving functional groups; the intermolecular modes mainly result from the translational motions of individual molecules, and the rocking of the hydrogen-bonded functional groups." @default.
• W2210366445 created "2016-06-24" @default.
• W2210366445 creator A5000203631 @default.
• W2210366445 creator A5028769383 @default.
• W2210366445 creator A5068335877 @default.
• W2210366445 creator A5075828102 @default.
• W2210366445 creator A5080846142 @default.
• W2210366445 creator A5086683752 @default.
• W2210366445 date "2015-06-25" @default.
• W2210366445 modified "2023-10-03" @default.
• W2210366445 title "Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation" @default.
• W2210366445 cites W1976254285 @default.
• W2210366445 cites W2004957682 @default.
• W2210366445 cites W2013193811 @default.
• W2210366445 cites W2014802379 @default.
• W2210366445 cites W2016168218 @default.
• W2210366445 cites W2043275334 @default.
• W2210366445 cites W2048835561 @default.
• W2210366445 cites W2076182611 @default.
• W2210366445 cites W2110477653 @default.
• W2210366445 cites W2152232267 @default.
• W2210366445 cites W2159752439 @default.
• W2210366445 cites W2162125708 @default.
• W2210366445 cites W2184377653 @default.
• W2210366445 cites W2240011803 @default.
• W2210366445 cites W2317269416 @default.
• W2210366445 cites W2356426948 @default.
• W2210366445 cites W2783982999 @default.
• W2210366445 cites W4249399150 @default.
• W2210366445 cites W4255916494 @default.
• W2210366445 cites W860308512 @default.
• W2210366445 cites W2091800548 @default.
• W2210366445 doi "https://doi.org/10.1088/1674-1056/24/7/073301" @default.
• W2210366445 hasPublicationYear "2015" @default.
• W2210366445 type Work @default.
• W2210366445 sameAs 2210366445 @default.
• W2210366445 citedByCount "3" @default.
• W2210366445 countsByYear W22103664452016 @default.
• W2210366445 countsByYear W22103664452018 @default.
• W2210366445 countsByYear W22103664452023 @default.
• W2210366445 crossrefType "journal-article" @default.
• W2210366445 hasAuthorship W2210366445A5000203631 @default.
• W2210366445 hasAuthorship W2210366445A5028769383 @default.
• W2210366445 hasAuthorship W2210366445A5068335877 @default.
• W2210366445 hasAuthorship W2210366445A5075828102 @default.
• W2210366445 hasAuthorship W2210366445A5080846142 @default.
• W2210366445 hasAuthorship W2210366445A5086683752 @default.
• W2210366445 hasConcept C107816215 @default.
• W2210366445 hasConcept C112887158 @default.
• W2210366445 hasConcept C147597530 @default.
• W2210366445 hasConcept C152365726 @default.
• W2210366445 hasConcept C166950319 @default.
• W2210366445 hasConcept C178790620 @default.
• W2210366445 hasConcept C185592680 @default.
• W2210366445 hasConcept C192562407 @default.
• W2210366445 hasConcept C32909587 @default.
• W2210366445 hasConcept C41999313 @default.
• W2210366445 hasConcept C49040817 @default.
• W2210366445 hasConcept C71240020 @default.
• W2210366445 hasConcept C75079739 @default.
• W2210366445 hasConcept C8010536 @default.
• W2210366445 hasConceptScore W2210366445C107816215 @default.
• W2210366445 hasConceptScore W2210366445C112887158 @default.
• W2210366445 hasConceptScore W2210366445C147597530 @default.
• W2210366445 hasConceptScore W2210366445C152365726 @default.
• W2210366445 hasConceptScore W2210366445C166950319 @default.
• W2210366445 hasConceptScore W2210366445C178790620 @default.
• W2210366445 hasConceptScore W2210366445C185592680 @default.
• W2210366445 hasConceptScore W2210366445C192562407 @default.
• W2210366445 hasConceptScore W2210366445C32909587 @default.
• W2210366445 hasConceptScore W2210366445C41999313 @default.
• W2210366445 hasConceptScore W2210366445C49040817 @default.
• W2210366445 hasConceptScore W2210366445C71240020 @default.
• W2210366445 hasConceptScore W2210366445C75079739 @default.
• W2210366445 hasConceptScore W2210366445C8010536 @default.
• W2210366445 hasLocation W22103664451 @default.
• W2210366445 hasOpenAccess W2210366445 @default.
• W2210366445 hasPrimaryLocation W22103664451 @default.
• W2210366445 hasRelatedWork W1624596491 @default.
• W2210366445 hasRelatedWork W1964696914 @default.
• W2210366445 hasRelatedWork W1969597694 @default.
• W2210366445 hasRelatedWork W1970068306 @default.
• W2210366445 hasRelatedWork W1974831821 @default.
• W2210366445 hasRelatedWork W1992586469 @default.
• W2210366445 hasRelatedWork W2035343065 @default.
• W2210366445 hasRelatedWork W2069463346 @default.
• W2210366445 hasRelatedWork W2077483421 @default.
• W2210366445 hasRelatedWork W2077646262 @default.
• W2210366445 hasRelatedWork W2086331998 @default.
• W2210366445 hasRelatedWork W2117722694 @default.
• W2210366445 hasRelatedWork W2142963488 @default.
• W2210366445 hasRelatedWork W2151739921 @default.
• W2210366445 hasRelatedWork W2316000935 @default.
• W2210366445 hasRelatedWork W2322348874 @default.
• W2210366445 hasRelatedWork W2516069217 @default.
• W2210366445 hasRelatedWork W2941512339 @default.
• W2210366445 hasRelatedWork W3105721222 @default.
• W2210366445 hasRelatedWork W3166533148 @default.
• W2210366445 isParatext "false" @default.
• W2210366445 isRetracted "false" @default.

• next