Matches in SemOpenAlex for { <https://semopenalex.org/work/W2003170214> ?p ?o ?g. }
- W2003170214 endingPage "50" @default.
- W2003170214 startingPage "41" @default.
- W2003170214 abstract "The mid-IR spectra of l-methionine and its N−D3 deuterated isotopomer as isolated zwitterions in a KBr solid solvent have been obtained by means of a newly developed infrared sampling technique, which involves the production of thin films. Ab initio calculations of the nonaqueous self-consistent reaction field type, using the Onsager dipole-sphere model have been carried out at both the Hartree−Fock and density functional levels of theory for the prediction of the vibrational spectra and molecular structures of Met zwitterions isolated in KBr matrixes. Seven stable conformers of Met zwitterion were located, of which three were shown to be characterized by strong intramolecular H-bonding. Another conformer was found to have the same conformation, and similar molecular structure, as one of the two forms of Met crystals. The calculated structural data supplement the limited crystal data obtained by X-ray diffraction studies. Comparison of the calculated spectra of the seven conformers with the measured spectra favors the presence of zwitterions of conformer GtG in the KBr solid solvent. However, the evidence against a number of the other conformers, in particular, gtt and tGG, is not overwhelming." @default.
- W2003170214 created "2016-06-24" @default.
- W2003170214 creator A5043144309 @default.
- W2003170214 creator A5091544462 @default.
- W2003170214 date "2001-12-05" @default.
- W2003170214 modified "2023-09-27" @default.
- W2003170214 title "Conformational and Infrared Spectral Studies of <scp>l</scp>-Methionine and Its N-Deuterated Isotopomer as Isolated Zwitterions" @default.
- W2003170214 cites W1966503048 @default.
- W2003170214 cites W1968253015 @default.
- W2003170214 cites W1973753872 @default.
- W2003170214 cites W1974981895 @default.
- W2003170214 cites W2005039117 @default.
- W2003170214 cites W2009787847 @default.
- W2003170214 cites W2010376700 @default.
- W2003170214 cites W2028361503 @default.
- W2003170214 cites W2028891356 @default.
- W2003170214 cites W2030766616 @default.
- W2003170214 cites W2036265520 @default.
- W2003170214 cites W2039438415 @default.
- W2003170214 cites W2048585880 @default.
- W2003170214 cites W2050500684 @default.
- W2003170214 cites W2054271085 @default.
- W2003170214 cites W2060223244 @default.
- W2003170214 cites W2065447629 @default.
- W2003170214 cites W2087540207 @default.
- W2003170214 cites W2129579634 @default.
- W2003170214 cites W3005081750 @default.
- W2003170214 cites W4256215865 @default.
- W2003170214 cites W56204509 @default.
- W2003170214 doi "https://doi.org/10.1021/jp012908x" @default.
- W2003170214 hasPublicationYear "2001" @default.
- W2003170214 type Work @default.
- W2003170214 sameAs 2003170214 @default.
- W2003170214 citedByCount "54" @default.
- W2003170214 countsByYear W20031702142013 @default.
- W2003170214 countsByYear W20031702142015 @default.
- W2003170214 countsByYear W20031702142016 @default.
- W2003170214 countsByYear W20031702142017 @default.
- W2003170214 countsByYear W20031702142018 @default.
- W2003170214 countsByYear W20031702142019 @default.
- W2003170214 countsByYear W20031702142020 @default.
- W2003170214 countsByYear W20031702142021 @default.
- W2003170214 countsByYear W20031702142022 @default.
- W2003170214 countsByYear W20031702142023 @default.
- W2003170214 crossrefType "journal-article" @default.
- W2003170214 hasAuthorship W2003170214A5043144309 @default.
- W2003170214 hasAuthorship W2003170214A5091544462 @default.
- W2003170214 hasConcept C120665830 @default.
- W2003170214 hasConcept C121332964 @default.
- W2003170214 hasConcept C127124265 @default.
- W2003170214 hasConcept C147597530 @default.
- W2003170214 hasConcept C153642686 @default.
- W2003170214 hasConcept C158355884 @default.
- W2003170214 hasConcept C178790620 @default.
- W2003170214 hasConcept C183971685 @default.
- W2003170214 hasConcept C185592680 @default.
- W2003170214 hasConcept C18705241 @default.
- W2003170214 hasConcept C2778743342 @default.
- W2003170214 hasConcept C2781442258 @default.
- W2003170214 hasConcept C32909587 @default.
- W2003170214 hasConcept C58364064 @default.
- W2003170214 hasConcept C62520636 @default.
- W2003170214 hasConcept C71240020 @default.
- W2003170214 hasConcept C75079739 @default.
- W2003170214 hasConcept C8010536 @default.
- W2003170214 hasConceptScore W2003170214C120665830 @default.
- W2003170214 hasConceptScore W2003170214C121332964 @default.
- W2003170214 hasConceptScore W2003170214C127124265 @default.
- W2003170214 hasConceptScore W2003170214C147597530 @default.
- W2003170214 hasConceptScore W2003170214C153642686 @default.
- W2003170214 hasConceptScore W2003170214C158355884 @default.
- W2003170214 hasConceptScore W2003170214C178790620 @default.
- W2003170214 hasConceptScore W2003170214C183971685 @default.
- W2003170214 hasConceptScore W2003170214C185592680 @default.
- W2003170214 hasConceptScore W2003170214C18705241 @default.
- W2003170214 hasConceptScore W2003170214C2778743342 @default.
- W2003170214 hasConceptScore W2003170214C2781442258 @default.
- W2003170214 hasConceptScore W2003170214C32909587 @default.
- W2003170214 hasConceptScore W2003170214C58364064 @default.
- W2003170214 hasConceptScore W2003170214C62520636 @default.
- W2003170214 hasConceptScore W2003170214C71240020 @default.
- W2003170214 hasConceptScore W2003170214C75079739 @default.
- W2003170214 hasConceptScore W2003170214C8010536 @default.
- W2003170214 hasIssue "1" @default.
- W2003170214 hasLocation W20031702141 @default.
- W2003170214 hasOpenAccess W2003170214 @default.
- W2003170214 hasPrimaryLocation W20031702141 @default.
- W2003170214 hasRelatedWork W1970761544 @default.
- W2003170214 hasRelatedWork W1983328554 @default.
- W2003170214 hasRelatedWork W2003170214 @default.
- W2003170214 hasRelatedWork W2006119058 @default.
- W2003170214 hasRelatedWork W2009363958 @default.
- W2003170214 hasRelatedWork W2010191713 @default.
- W2003170214 hasRelatedWork W2031319459 @default.
- W2003170214 hasRelatedWork W2046944648 @default.
- W2003170214 hasRelatedWork W2092298348 @default.
- W2003170214 hasRelatedWork W2150599218 @default.
- W2003170214 hasVolume "106" @default.