FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2058871365> ?p ?o ?g. }

• W2058871365 endingPage "106" @default.
• W2058871365 startingPage "102" @default.
• W2058871365 abstract "Vibrational potentials and dipole moment functions of HF molecule in solutions have been calculated as a function of dielectric constant by using the self-consistent reaction field (SCRF)/isodensity surface polarized continuum model (IPCM) calculation. We have selected HF molecule as the simplest polar molecule. The wavenumbers and absorption intensities of the fundamental and the first, second and third overtones of H–F stretching mode have been calculated as a function of dielectric constant. The SCRF/IPCM model calculations have revealed that the vibrational potential and dipole moment function of HF molecule vary continuously with a change in the dielectric constant of the solvent. The calculations were carried out at B3LYP/6-311++G(3df,3pd) and CCSD/aug-cc-pVQZ levels. It has also been found that the absorption intensities of the fundamental increase with the increase of the dielectric constant smoothly but those of the first, second and third overtones do not increase continuously. Moreover, the B3LYP and CCSD levels yielded significantly different results in the dependence of absorption intensities on the dielectric constant." @default.
• W2058871365 created "2016-06-24" @default.
• W2058871365 creator A5036998903 @default.
• W2058871365 creator A5040860122 @default.
• W2058871365 creator A5055883317 @default.
• W2058871365 creator A5058164668 @default.
• W2058871365 creator A5069428991 @default.
• W2058871365 creator A5071959063 @default.
• W2058871365 date "2012-06-01" @default.
• W2058871365 modified "2023-10-10" @default.
• W2058871365 title "The dielectric constant dependence of absorption intensities and wavenumbers of the fundamental and overtone transitions of stretching vibration of the hydrogen fluoride studied by quantum chemistry calculations" @default.
• W2058871365 cites W1964365507 @default.
• W2058871365 cites W1976507668 @default.
• W2058871365 cites W1983801810 @default.
• W2058871365 cites W1986733168 @default.
• W2058871365 cites W1990923987 @default.
• W2058871365 cites W1995240044 @default.
• W2058871365 cites W2022764823 @default.
• W2058871365 cites W2023271753 @default.
• W2058871365 cites W2028416457 @default.
• W2058871365 cites W2029270491 @default.
• W2058871365 cites W2042696623 @default.
• W2058871365 cites W2045634294 @default.
• W2058871365 cites W2047870258 @default.
• W2058871365 cites W2050600638 @default.
• W2058871365 cites W2051609675 @default.
• W2058871365 cites W2073205569 @default.
• W2058871365 cites W2074593705 @default.
• W2058871365 cites W2081788885 @default.
• W2058871365 cites W2083781006 @default.
• W2058871365 cites W2085225098 @default.
• W2058871365 cites W2086672525 @default.
• W2058871365 cites W2092785033 @default.
• W2058871365 cites W2100757882 @default.
• W2058871365 cites W2140178234 @default.
• W2058871365 cites W2143981217 @default.
• W2058871365 cites W2159650326 @default.
• W2058871365 cites W2314522851 @default.
• W2058871365 cites W2316755714 @default.
• W2058871365 cites W2326692185 @default.
• W2058871365 cites W4205182410 @default.
• W2058871365 cites W4252479698 @default.
• W2058871365 doi "https://doi.org/10.1016/j.molstruc.2012.01.029" @default.
• W2058871365 hasPublicationYear "2012" @default.
• W2058871365 type Work @default.
• W2058871365 sameAs 2058871365 @default.
• W2058871365 citedByCount "20" @default.
• W2058871365 countsByYear W20588713652013 @default.
• W2058871365 countsByYear W20588713652014 @default.
• W2058871365 countsByYear W20588713652015 @default.
• W2058871365 countsByYear W20588713652016 @default.
• W2058871365 countsByYear W20588713652017 @default.
• W2058871365 countsByYear W20588713652018 @default.
• W2058871365 countsByYear W20588713652019 @default.
• W2058871365 countsByYear W20588713652020 @default.
• W2058871365 countsByYear W20588713652021 @default.
• W2058871365 countsByYear W20588713652022 @default.
• W2058871365 crossrefType "journal-article" @default.
• W2058871365 hasAuthorship W2058871365A5036998903 @default.
• W2058871365 hasAuthorship W2058871365A5040860122 @default.
• W2058871365 hasAuthorship W2058871365A5055883317 @default.
• W2058871365 hasAuthorship W2058871365A5058164668 @default.
• W2058871365 hasAuthorship W2058871365A5069428991 @default.
• W2058871365 hasAuthorship W2058871365A5071959063 @default.
• W2058871365 hasConcept C120665830 @default.
• W2058871365 hasConcept C121332964 @default.
• W2058871365 hasConcept C125287762 @default.
• W2058871365 hasConcept C133386390 @default.
• W2058871365 hasConcept C147597530 @default.
• W2058871365 hasConcept C147789679 @default.
• W2058871365 hasConcept C164771162 @default.
• W2058871365 hasConcept C165801399 @default.
• W2058871365 hasConcept C173523689 @default.
• W2058871365 hasConcept C178790620 @default.
• W2058871365 hasConcept C184779094 @default.
• W2058871365 hasConcept C185592680 @default.
• W2058871365 hasConcept C24123453 @default.
• W2058871365 hasConcept C32909587 @default.
• W2058871365 hasConcept C38615331 @default.
• W2058871365 hasConcept C41999313 @default.
• W2058871365 hasConcept C4839761 @default.
• W2058871365 hasConcept C52192207 @default.
• W2058871365 hasConcept C61978335 @default.
• W2058871365 hasConcept C62520636 @default.
• W2058871365 hasConceptScore W2058871365C120665830 @default.
• W2058871365 hasConceptScore W2058871365C121332964 @default.
• W2058871365 hasConceptScore W2058871365C125287762 @default.
• W2058871365 hasConceptScore W2058871365C133386390 @default.
• W2058871365 hasConceptScore W2058871365C147597530 @default.
• W2058871365 hasConceptScore W2058871365C147789679 @default.
• W2058871365 hasConceptScore W2058871365C164771162 @default.
• W2058871365 hasConceptScore W2058871365C165801399 @default.
• W2058871365 hasConceptScore W2058871365C173523689 @default.
• W2058871365 hasConceptScore W2058871365C178790620 @default.
• W2058871365 hasConceptScore W2058871365C184779094 @default.
• W2058871365 hasConceptScore W2058871365C185592680 @default.
• W2058871365 hasConceptScore W2058871365C24123453 @default.
• W2058871365 hasConceptScore W2058871365C32909587 @default.

• next