FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2002139220> ?p ?o ?g. }

• W2002139220 endingPage "31" @default.
• W2002139220 startingPage "21" @default.
• W2002139220 abstract "Abstract The IR spectral density (SD) of the high frequency stretching mode of H-bonded complexes involving both the intrinsic anharmonicity of the fast and slow mode, together with direct and indirect relaxations is studied within the linear response theory. For this aim, we extend a quantum non-adiabatic treatment of H-bonds involving intrinsic anharmonicity of the fast mode [N. Rekik, A. Velescu, P. Blaise, O. Henri-Rousseau, Chem. Phys. 273 (2001) 11.] which is described by an asymmetric double well potential by accounting for the anharmonicity of the slow mode and the indirect relaxation. In addition, the repulsive potential intervening in the asymmetric double well potential is described by the sum of three Gaussian whereas in the previous model, only one Gaussian was taken into account. The anharmonic coupling between the high frequency X – H → … Y and the low frequency X ← – H … Y → modes is treated inside the strong anharmonic coupling theory. The relaxation of the fast mode (direct damping) and of the H-bond bridge (indirect damping) is incorporated by aid of our previous results [N. Rekik, B.Ouari, P. Blaise, O. Henri-Rousseau, J. Mol. Struc. (Theochem.) 687 (2004) 125–133.]. The IR SD is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The numerical calculation shows that the indirect damping plays a specific role in the features of the lineshapes of hydrogen bonds systems by favouring more the fine structure of the low frequency tail than that of the high frequency one." @default.
• W2002139220 created "2016-06-24" @default.
• W2002139220 creator A5016180397 @default.
• W2002139220 creator A5034201920 @default.
• W2002139220 creator A5041229057 @default.
• W2002139220 creator A5071959063 @default.
• W2002139220 creator A5078860175 @default.
• W2002139220 date "2007-11-01" @default.
• W2002139220 modified "2023-10-17" @default.
• W2002139220 title "Infrared spectral density of H-bonds within the strong anharmonic coupling theory: Indirect relaxation effect" @default.
• W2002139220 cites W1580113825 @default.
• W2002139220 cites W1982467128 @default.
• W2002139220 cites W1984279651 @default.
• W2002139220 cites W1992959577 @default.
• W2002139220 cites W2003301106 @default.
• W2002139220 cites W2003595536 @default.
• W2002139220 cites W2009798687 @default.
• W2002139220 cites W2017041843 @default.
• W2002139220 cites W2018763953 @default.
• W2002139220 cites W2019000500 @default.
• W2002139220 cites W2035179182 @default.
• W2002139220 cites W2043143784 @default.
• W2002139220 cites W2051227287 @default.
• W2002139220 cites W2052861401 @default.
• W2002139220 cites W2056586886 @default.
• W2002139220 cites W2059849302 @default.
• W2002139220 cites W2065814688 @default.
• W2002139220 cites W2078097198 @default.
• W2002139220 cites W2079261103 @default.
• W2002139220 cites W2084928958 @default.
• W2002139220 cites W2147016720 @default.
• W2002139220 cites W2234998704 @default.
• W2002139220 doi "https://doi.org/10.1016/j.molstruc.2007.02.040" @default.
• W2002139220 hasPublicationYear "2007" @default.
• W2002139220 type Work @default.
• W2002139220 sameAs 2002139220 @default.
• W2002139220 citedByCount "37" @default.
• W2002139220 countsByYear W20021392202012 @default.
• W2002139220 countsByYear W20021392202014 @default.
• W2002139220 countsByYear W20021392202017 @default.
• W2002139220 countsByYear W20021392202018 @default.
• W2002139220 countsByYear W20021392202019 @default.
• W2002139220 countsByYear W20021392202021 @default.
• W2002139220 countsByYear W20021392202022 @default.
• W2002139220 countsByYear W20021392202023 @default.
• W2002139220 crossrefType "journal-article" @default.
• W2002139220 hasAuthorship W2002139220A5016180397 @default.
• W2002139220 hasAuthorship W2002139220A5034201920 @default.
• W2002139220 hasAuthorship W2002139220A5041229057 @default.
• W2002139220 hasAuthorship W2002139220A5071959063 @default.
• W2002139220 hasAuthorship W2002139220A5078860175 @default.
• W2002139220 hasConcept C121332964 @default.
• W2002139220 hasConcept C127413603 @default.
• W2002139220 hasConcept C131584629 @default.
• W2002139220 hasConcept C147597530 @default.
• W2002139220 hasConcept C147724859 @default.
• W2002139220 hasConcept C152365726 @default.
• W2002139220 hasConcept C15744967 @default.
• W2002139220 hasConcept C158355884 @default.
• W2002139220 hasConcept C159467904 @default.
• W2002139220 hasConcept C185592680 @default.
• W2002139220 hasConcept C26873012 @default.
• W2002139220 hasConcept C2776029896 @default.
• W2002139220 hasConcept C41999313 @default.
• W2002139220 hasConcept C62520636 @default.
• W2002139220 hasConcept C77805123 @default.
• W2002139220 hasConcept C78519656 @default.
• W2002139220 hasConceptScore W2002139220C121332964 @default.
• W2002139220 hasConceptScore W2002139220C127413603 @default.
• W2002139220 hasConceptScore W2002139220C131584629 @default.
• W2002139220 hasConceptScore W2002139220C147597530 @default.
• W2002139220 hasConceptScore W2002139220C147724859 @default.
• W2002139220 hasConceptScore W2002139220C152365726 @default.
• W2002139220 hasConceptScore W2002139220C15744967 @default.
• W2002139220 hasConceptScore W2002139220C158355884 @default.
• W2002139220 hasConceptScore W2002139220C159467904 @default.
• W2002139220 hasConceptScore W2002139220C185592680 @default.
• W2002139220 hasConceptScore W2002139220C26873012 @default.
• W2002139220 hasConceptScore W2002139220C2776029896 @default.
• W2002139220 hasConceptScore W2002139220C41999313 @default.
• W2002139220 hasConceptScore W2002139220C62520636 @default.
• W2002139220 hasConceptScore W2002139220C77805123 @default.
• W2002139220 hasConceptScore W2002139220C78519656 @default.
• W2002139220 hasLocation W20021392201 @default.
• W2002139220 hasOpenAccess W2002139220 @default.
• W2002139220 hasPrimaryLocation W20021392201 @default.
• W2002139220 hasRelatedWork W1964453225 @default.
• W2002139220 hasRelatedWork W1990686515 @default.
• W2002139220 hasRelatedWork W2000548605 @default.
• W2002139220 hasRelatedWork W2001211831 @default.
• W2002139220 hasRelatedWork W2014801035 @default.
• W2002139220 hasRelatedWork W2068906397 @default.
• W2002139220 hasRelatedWork W2146785676 @default.
• W2002139220 hasRelatedWork W2238615003 @default.
• W2002139220 hasRelatedWork W2974492131 @default.
• W2002139220 hasRelatedWork W3194628437 @default.
• W2002139220 hasVolume "844-845" @default.
• W2002139220 isParatext "false" @default.

• next