Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022652045> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W2022652045 endingPage "33" @default.
- W2022652045 startingPage "33" @default.
- W2022652045 abstract "Recently, we reported ab initio quartic force fields (QFFs) for the cyclic and linear forms of the C3H3+ molecular cation, referred to as c-C3H3+ and l-C3H3+. These were computed using high levels of theory. Specifically the singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), was used in conjunction with extrapolation to the one-particle basis set limit, and corrections for scalar relativity and core correlation were included. In the present study, we use these QFFs to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants for the c-13CC2H3+, c-C3H2D+, c-13CC2H2D+ isotoplogues of c-C3H3+, and the H2CCCD+, HDCCCH+, H213CCCH+, H2C13CCH+, and H2CC13CH+ isotopologues of l-C3H3+. Improvements in ab intitio methods have now made it possible to identify small molecules in an astronomical observation without the aid of high-resolution experimental data. We also report dipole moment values and show that the above-mentioned cyclic isotopologues have values of 0.094, 0.225, and 0.312 D, respectively, while the l-C3H3+ isotopologues have values that range between 0.325 and 0.811 D. Thus, it is hoped that the highly accurate spectroscopic constants and data provided herein for the 13C and deuterium isotopologues of the cyclic and linear forms of C3H3+ will enable their identification in astronomical observations from the Herschel Space Observatory, the Stratospheric Observatory for Infrared Astronomy, the Atacama Large Millimeter Array, and in the future, the James Webb Space Telescope." @default.
- W2022652045 created "2016-06-24" @default.
- W2022652045 creator A5032327701 @default.
- W2022652045 creator A5054287096 @default.
- W2022652045 date "2011-07-01" @default.
- W2022652045 modified "2023-09-27" @default.
- W2022652045 title "SPECTROSCOPIC CONSTANTS FOR<sup>13</sup>C AND DEUTERIUM ISOTOPOLOGUES OF CYCLIC AND LINEAR C<sub>3</sub>H<sub>3</sub><sup>+</sup>" @default.
- W2022652045 cites W1595982542 @default.
- W2022652045 cites W1966409686 @default.
- W2022652045 cites W1973261199 @default.
- W2022652045 cites W1983075444 @default.
- W2022652045 cites W1984997031 @default.
- W2022652045 cites W1993077801 @default.
- W2022652045 cites W2004884726 @default.
- W2022652045 cites W2016759213 @default.
- W2022652045 cites W2043822775 @default.
- W2022652045 cites W2051236015 @default.
- W2022652045 cites W2053283523 @default.
- W2022652045 cites W2065100700 @default.
- W2022652045 cites W2069006374 @default.
- W2022652045 cites W2069498855 @default.
- W2022652045 cites W2082978395 @default.
- W2022652045 cites W2086761564 @default.
- W2022652045 cites W2090408135 @default.
- W2022652045 cites W2090524505 @default.
- W2022652045 cites W2091918464 @default.
- W2022652045 cites W2092930273 @default.
- W2022652045 cites W2095080243 @default.
- W2022652045 cites W2095096888 @default.
- W2022652045 cites W2335474618 @default.
- W2022652045 cites W2949683832 @default.
- W2022652045 cites W3122049348 @default.
- W2022652045 doi "https://doi.org/10.1088/0004-637x/736/1/33" @default.
- W2022652045 hasPublicationYear "2011" @default.
- W2022652045 type Work @default.
- W2022652045 sameAs 2022652045 @default.
- W2022652045 citedByCount "21" @default.
- W2022652045 countsByYear W20226520452012 @default.
- W2022652045 countsByYear W20226520452013 @default.
- W2022652045 countsByYear W20226520452014 @default.
- W2022652045 countsByYear W20226520452015 @default.
- W2022652045 countsByYear W20226520452016 @default.
- W2022652045 countsByYear W20226520452017 @default.
- W2022652045 countsByYear W20226520452018 @default.
- W2022652045 countsByYear W20226520452019 @default.
- W2022652045 countsByYear W20226520452023 @default.
- W2022652045 crossrefType "journal-article" @default.
- W2022652045 hasAuthorship W2022652045A5032327701 @default.
- W2022652045 hasAuthorship W2022652045A5054287096 @default.
- W2022652045 hasBestOaLocation W20226520451 @default.
- W2022652045 hasConcept C121332964 @default.
- W2022652045 hasConcept C132459708 @default.
- W2022652045 hasConcept C134306372 @default.
- W2022652045 hasConcept C13934619 @default.
- W2022652045 hasConcept C185544564 @default.
- W2022652045 hasConcept C205334942 @default.
- W2022652045 hasConcept C32909587 @default.
- W2022652045 hasConcept C33923547 @default.
- W2022652045 hasConcept C44870925 @default.
- W2022652045 hasConcept C62520636 @default.
- W2022652045 hasConceptScore W2022652045C121332964 @default.
- W2022652045 hasConceptScore W2022652045C132459708 @default.
- W2022652045 hasConceptScore W2022652045C134306372 @default.
- W2022652045 hasConceptScore W2022652045C13934619 @default.
- W2022652045 hasConceptScore W2022652045C185544564 @default.
- W2022652045 hasConceptScore W2022652045C205334942 @default.
- W2022652045 hasConceptScore W2022652045C32909587 @default.
- W2022652045 hasConceptScore W2022652045C33923547 @default.
- W2022652045 hasConceptScore W2022652045C44870925 @default.
- W2022652045 hasConceptScore W2022652045C62520636 @default.
- W2022652045 hasIssue "1" @default.
- W2022652045 hasLocation W20226520451 @default.
- W2022652045 hasOpenAccess W2022652045 @default.
- W2022652045 hasPrimaryLocation W20226520451 @default.
- W2022652045 hasRelatedWork W1997152486 @default.
- W2022652045 hasRelatedWork W2008086601 @default.
- W2022652045 hasRelatedWork W2010133960 @default.
- W2022652045 hasRelatedWork W2050942819 @default.
- W2022652045 hasRelatedWork W2074908409 @default.
- W2022652045 hasRelatedWork W2342416117 @default.
- W2022652045 hasRelatedWork W3098791626 @default.
- W2022652045 hasRelatedWork W3103114574 @default.
- W2022652045 hasRelatedWork W3124341178 @default.
- W2022652045 hasRelatedWork W3145073591 @default.
- W2022652045 hasVolume "736" @default.
- W2022652045 isParatext "false" @default.
- W2022652045 isRetracted "false" @default.
- W2022652045 magId "2022652045" @default.
- W2022652045 workType "article" @default.