FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2093462617> ?p ?o ?g. }

• W2093462617 endingPage "794" @default.
• W2093462617 startingPage "783" @default.
• W2093462617 abstract "The high resolution rovibrational spectrum of H2S has been evaluated from three-dimensional ab initio potential energy and electric dipole moment functions and variational rovibrational eigenfunctions, which took full account of anharmonicity effects and rotation–vibration coupling. The quality of the near equilibrium theoretical potential energy function has been checked by comparisons with experimental equilibrium structure, empirical quartic force fields, vibrational band origins, centrifugal distortion constants, and rotational energy levels. All parameters agree well with the available experimental data. Vibrational band intensities for the ν2, 2ν2, ν1, and ν3 bands have been calculated from empirical and ab initio dipole moment functions and compared with experimental and theoretical integrated band intensities. The difficulties arising by the derivation of such data from the experimental intensities of H2S are discussed. The theoretical results strongly suggest that higher than first derivatives are needed for a proper description of the dipole moment function. The room temperature absorption spectra have been evaluated ab initio for the pure rotational and the ν2, 2ν2, ν1, and ν3 transitions. The unusual intensity pattern of the P, Q, and R branches attributed to the rotational–vibrational coupling has been well reproduced. Absolute line intensities calculated previously by perturbation theory are compared with variational results. The purely theoretical line intensities agree satisfactorily with experiment for the bending transitions, however, the extremely flat regions of the dipole moment functions along the bond stretching displacements make the transition intensities very sensitive to the values of the dipole moment derivatives." @default.
• W2093462617 created "2016-06-24" @default.
• W2093462617 creator A5013268324 @default.
• W2093462617 creator A5031786519 @default.
• W2093462617 creator A5053392592 @default.
• W2093462617 creator A5053829260 @default.
• W2093462617 creator A5058020426 @default.
• W2093462617 creator A5065186504 @default.
• W2093462617 date "1989-01-15" @default.
• W2093462617 modified "2023-10-18" @default.
• W2093462617 title "Theoretical rotational–vibrational spectrum of H₂S" @default.
• W2093462617 cites W1646948300 @default.
• W2093462617 cites W1974590715 @default.
• W2093462617 cites W1985790700 @default.
• W2093462617 cites W1993978826 @default.
• W2093462617 cites W1998705691 @default.
• W2093462617 cites W1999368011 @default.
• W2093462617 cites W2026303459 @default.
• W2093462617 cites W2057861896 @default.
• W2093462617 cites W2058454717 @default.
• W2093462617 cites W2061833524 @default.
• W2093462617 cites W2070976512 @default.
• W2093462617 cites W2081406975 @default.
• W2093462617 cites W2084665482 @default.
• W2093462617 cites W2116633674 @default.
• W2093462617 cites W2136194765 @default.
• W2093462617 cites W2170486662 @default.
• W2093462617 cites W4234447070 @default.
• W2093462617 doi "https://doi.org/10.1063/1.456103" @default.
• W2093462617 hasPublicationYear "1989" @default.
• W2093462617 type Work @default.
• W2093462617 sameAs 2093462617 @default.
• W2093462617 citedByCount "63" @default.
• W2093462617 countsByYear W20934626172012 @default.
• W2093462617 countsByYear W20934626172013 @default.
• W2093462617 countsByYear W20934626172014 @default.
• W2093462617 countsByYear W20934626172015 @default.
• W2093462617 countsByYear W20934626172016 @default.
• W2093462617 countsByYear W20934626172018 @default.
• W2093462617 crossrefType "journal-article" @default.
• W2093462617 hasAuthorship W2093462617A5013268324 @default.
• W2093462617 hasAuthorship W2093462617A5031786519 @default.
• W2093462617 hasAuthorship W2093462617A5053392592 @default.
• W2093462617 hasAuthorship W2093462617A5053829260 @default.
• W2093462617 hasAuthorship W2093462617A5058020426 @default.
• W2093462617 hasAuthorship W2093462617A5065186504 @default.
• W2093462617 hasConcept C121332964 @default.
• W2093462617 hasConcept C130432447 @default.
• W2093462617 hasConcept C147724859 @default.
• W2093462617 hasConcept C167812310 @default.
• W2093462617 hasConcept C173523689 @default.
• W2093462617 hasConcept C178790620 @default.
• W2093462617 hasConcept C181500209 @default.
• W2093462617 hasConcept C183971685 @default.
• W2093462617 hasConcept C184779094 @default.
• W2093462617 hasConcept C185592680 @default.
• W2093462617 hasConcept C198990423 @default.
• W2093462617 hasConcept C202444582 @default.
• W2093462617 hasConcept C202449340 @default.
• W2093462617 hasConcept C2781442258 @default.
• W2093462617 hasConcept C31100168 @default.
• W2093462617 hasConcept C32909587 @default.
• W2093462617 hasConcept C33923547 @default.
• W2093462617 hasConcept C39984356 @default.
• W2093462617 hasConcept C41999313 @default.
• W2093462617 hasConcept C4839761 @default.
• W2093462617 hasConcept C62520636 @default.
• W2093462617 hasConcept C84551667 @default.
• W2093462617 hasConceptScore W2093462617C121332964 @default.
• W2093462617 hasConceptScore W2093462617C130432447 @default.
• W2093462617 hasConceptScore W2093462617C147724859 @default.
• W2093462617 hasConceptScore W2093462617C167812310 @default.
• W2093462617 hasConceptScore W2093462617C173523689 @default.
• W2093462617 hasConceptScore W2093462617C178790620 @default.
• W2093462617 hasConceptScore W2093462617C181500209 @default.
• W2093462617 hasConceptScore W2093462617C183971685 @default.
• W2093462617 hasConceptScore W2093462617C184779094 @default.
• W2093462617 hasConceptScore W2093462617C185592680 @default.
• W2093462617 hasConceptScore W2093462617C198990423 @default.
• W2093462617 hasConceptScore W2093462617C202444582 @default.
• W2093462617 hasConceptScore W2093462617C202449340 @default.
• W2093462617 hasConceptScore W2093462617C2781442258 @default.
• W2093462617 hasConceptScore W2093462617C31100168 @default.
• W2093462617 hasConceptScore W2093462617C32909587 @default.
• W2093462617 hasConceptScore W2093462617C33923547 @default.
• W2093462617 hasConceptScore W2093462617C39984356 @default.
• W2093462617 hasConceptScore W2093462617C41999313 @default.
• W2093462617 hasConceptScore W2093462617C4839761 @default.
• W2093462617 hasConceptScore W2093462617C62520636 @default.
• W2093462617 hasConceptScore W2093462617C84551667 @default.
• W2093462617 hasIssue "2" @default.
• W2093462617 hasLocation W20934626171 @default.
• W2093462617 hasOpenAccess W2093462617 @default.
• W2093462617 hasPrimaryLocation W20934626171 @default.
• W2093462617 hasRelatedWork W1639470259 @default.
• W2093462617 hasRelatedWork W1981422556 @default.
• W2093462617 hasRelatedWork W2054965332 @default.
• W2093462617 hasRelatedWork W2066898564 @default.

• next