FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2130607578> ?p ?o ?g. }

• W2130607578 abstract "A theoretical study of rotational collision of LiH(X1Σ+,v = 0, J) with Ar has been carried out. The ab initio potential energy surface (PES) describing the interaction between the Ar atom and the rotating LiH molecule has been calculated very accurately and already discussed in our previous work [Computational and Theoretical Chemistry 993 (2012) 20–25]. This PES is employed to evaluate the de-excitation cross sections. The ab initio PES for the LiH(X1Σ+)-Ar(1S) Van der waals system is calculated at the coupled-cluster [CCSD(T)] approximation for a LiH length fixed to an experimental value of 3.0139 bohrs. The basis set superposition error (BSSE) is corrected and the bond functions are placed at mid-distance between the center of mass of LiH and the Ar atom. The cross sections are then derived in the close coupling (CC) approach and rate coefficients are inferred by averaging these cross sections over a Maxwell-Boltzmann distribution of kinetic energies. The 11 first rotational levels of rate coefficients are evaluated for temperatures ranging from 10 to 300 K. We notice that the de-excitation rate coefficients appear large in the order 10−10 cm−3 s−1 and show very low temperature dependence. The rate coefficients magnify significantly the propensity toward ∆ J = −1 transitions. These results confirm the same propensity already noted for the cross sections." @default.
• W2130607578 created "2016-06-24" @default.
• W2130607578 creator A5043273915 @default.
• W2130607578 creator A5043512850 @default.
• W2130607578 creator A5072963265 @default.
• W2130607578 creator A5082767148 @default.
• W2130607578 creator A5085041414 @default.
• W2130607578 date "2014-04-14" @default.
• W2130607578 modified "2023-09-27" @default.
• W2130607578 title "Rotationally inelastic dynamics of LiH (X1Σ+, v = 0) in collisions with Ar: State-to-state inelastic rotational rate coefficients" @default.
• W2130607578 cites W1501761362 @default.
• W2130607578 cites W1595108312 @default.
• W2130607578 cites W1971063822 @default.
• W2130607578 cites W1973413093 @default.
• W2130607578 cites W1979565301 @default.
• W2130607578 cites W1982034906 @default.
• W2130607578 cites W1987382829 @default.
• W2130607578 cites W1991090135 @default.
• W2130607578 cites W1993077801 @default.
• W2130607578 cites W1994284953 @default.
• W2130607578 cites W1999639133 @default.
• W2130607578 cites W2003354400 @default.
• W2130607578 cites W2008462189 @default.
• W2130607578 cites W2015114985 @default.
• W2130607578 cites W2018937156 @default.
• W2130607578 cites W2036349165 @default.
• W2130607578 cites W2037917675 @default.
• W2130607578 cites W2038426572 @default.
• W2130607578 cites W2044811812 @default.
• W2130607578 cites W2045485774 @default.
• W2130607578 cites W2053246987 @default.
• W2130607578 cites W2055630005 @default.
• W2130607578 cites W2059034272 @default.
• W2130607578 cites W2061648646 @default.
• W2130607578 cites W2062606596 @default.
• W2130607578 cites W2066125437 @default.
• W2130607578 cites W2069006374 @default.
• W2130607578 cites W2070217377 @default.
• W2130607578 cites W2072553895 @default.
• W2130607578 cites W2073911681 @default.
• W2130607578 cites W2076046696 @default.
• W2130607578 cites W2076991929 @default.
• W2130607578 cites W2090792148 @default.
• W2130607578 cites W2103381449 @default.
• W2130607578 cites W2140948019 @default.
• W2130607578 cites W2148941593 @default.
• W2130607578 cites W2149182187 @default.
• W2130607578 cites W2160032914 @default.
• W2130607578 cites W2754043835 @default.
• W2130607578 doi "https://doi.org/10.1186/2193-1801-3-188" @default.
• W2130607578 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4012032" @default.
• W2130607578 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24808997" @default.
• W2130607578 hasPublicationYear "2014" @default.
• W2130607578 type Work @default.
• W2130607578 sameAs 2130607578 @default.
• W2130607578 citedByCount "2" @default.
• W2130607578 countsByYear W21306075782016 @default.
• W2130607578 countsByYear W21306075782023 @default.
• W2130607578 crossrefType "journal-article" @default.
• W2130607578 hasAuthorship W2130607578A5043273915 @default.
• W2130607578 hasAuthorship W2130607578A5043512850 @default.
• W2130607578 hasAuthorship W2130607578A5072963265 @default.
• W2130607578 hasAuthorship W2130607578A5082767148 @default.
• W2130607578 hasAuthorship W2130607578A5085041414 @default.
• W2130607578 hasBestOaLocation W21306075781 @default.
• W2130607578 hasConcept C121332964 @default.
• W2130607578 hasConcept C126061179 @default.
• W2130607578 hasConcept C135889238 @default.
• W2130607578 hasConcept C147120987 @default.
• W2130607578 hasConcept C184779094 @default.
• W2130607578 hasConcept C185592680 @default.
• W2130607578 hasConcept C186647298 @default.
• W2130607578 hasConcept C2781442258 @default.
• W2130607578 hasConcept C32909587 @default.
• W2130607578 hasConcept C62520636 @default.
• W2130607578 hasConcept C83581075 @default.
• W2130607578 hasConceptScore W2130607578C121332964 @default.
• W2130607578 hasConceptScore W2130607578C126061179 @default.
• W2130607578 hasConceptScore W2130607578C135889238 @default.
• W2130607578 hasConceptScore W2130607578C147120987 @default.
• W2130607578 hasConceptScore W2130607578C184779094 @default.
• W2130607578 hasConceptScore W2130607578C185592680 @default.
• W2130607578 hasConceptScore W2130607578C186647298 @default.
• W2130607578 hasConceptScore W2130607578C2781442258 @default.
• W2130607578 hasConceptScore W2130607578C32909587 @default.
• W2130607578 hasConceptScore W2130607578C62520636 @default.
• W2130607578 hasConceptScore W2130607578C83581075 @default.
• W2130607578 hasIssue "1" @default.
• W2130607578 hasLocation W21306075781 @default.
• W2130607578 hasLocation W21306075782 @default.
• W2130607578 hasLocation W21306075783 @default.
• W2130607578 hasLocation W21306075784 @default.
• W2130607578 hasOpenAccess W2130607578 @default.
• W2130607578 hasPrimaryLocation W21306075781 @default.
• W2130607578 hasRelatedWork W1982512132 @default.
• W2130607578 hasRelatedWork W1997086491 @default.
• W2130607578 hasRelatedWork W2004914832 @default.
• W2130607578 hasRelatedWork W2004948278 @default.
• W2130607578 hasRelatedWork W2039121256 @default.
• W2130607578 hasRelatedWork W2046647526 @default.

• next