FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2079597977> ?p ?o ?g. }

• W2079597977 endingPage "152" @default.
• W2079597977 startingPage "148" @default.
• W2079597977 abstract "The geometries of the A-frame molecules S(MPH3)2 (M = Cu, Ag, Au) are optimized at the HF, MP2, MP3, MP4, CCSD, and CCSD(T) levels using 19-valence-electron pseudopotentials. The M–M distances show oscillations which increase in the order Ag < Au < Cu. This result qualitatively parallels recent findings for the metallophilic bond strength by O’Grady and Kaltsoyannis [E. O’Grady, N. Kaltsoyannis. Phys. Chem. Chem. Phys. 6 (2004) 680.]. Local MP2 and local CCSD calculations were also performed for comparison. These methods allow to partition the correlation contributions to the M–M interaction energy into dispersion and ionic terms. The latter were found to be unprecedently important for M = Cu." @default.
• W2079597977 created "2016-06-24" @default.
• W2079597977 creator A5030263769 @default.
• W2079597977 creator A5047652345 @default.
• W2079597977 creator A5053392592 @default.
• W2079597977 creator A5086870920 @default.
• W2079597977 date "2005-03-01" @default.
• W2079597977 modified "2023-10-18" @default.
• W2079597977 title "Comparative calculations for the A-frame molecules [S(MPH3)2] (M=Cu, Ag, Au) at levels up to CCSD(T)" @default.
• W2079597977 cites W1965272987 @default.
• W2079597977 cites W1966792574 @default.
• W2079597977 cites W1969597623 @default.
• W2079597977 cites W1988485116 @default.
• W2079597977 cites W2004304256 @default.
• W2079597977 cites W2014015984 @default.
• W2079597977 cites W2015433897 @default.
• W2079597977 cites W2015723183 @default.
• W2079597977 cites W2019778577 @default.
• W2079597977 cites W2021124658 @default.
• W2079597977 cites W2021314546 @default.
• W2079597977 cites W2023686222 @default.
• W2079597977 cites W2031239439 @default.
• W2079597977 cites W2042954625 @default.
• W2079597977 cites W2043327592 @default.
• W2079597977 cites W2059397431 @default.
• W2079597977 cites W2061931740 @default.
• W2079597977 cites W2073530175 @default.
• W2079597977 cites W2080942482 @default.
• W2079597977 cites W2088204832 @default.
• W2079597977 cites W2089363127 @default.
• W2079597977 cites W2092443292 @default.
• W2079597977 cites W2103191961 @default.
• W2079597977 cites W2148363281 @default.
• W2079597977 cites W2314656481 @default.
• W2079597977 cites W4230151690 @default.
• W2079597977 doi "https://doi.org/10.1016/j.cplett.2005.02.013" @default.
• W2079597977 hasPublicationYear "2005" @default.
• W2079597977 type Work @default.
• W2079597977 sameAs 2079597977 @default.
• W2079597977 citedByCount "37" @default.
• W2079597977 countsByYear W20795979772012 @default.
• W2079597977 countsByYear W20795979772013 @default.
• W2079597977 countsByYear W20795979772014 @default.
• W2079597977 countsByYear W20795979772015 @default.
• W2079597977 countsByYear W20795979772016 @default.
• W2079597977 countsByYear W20795979772018 @default.
• W2079597977 countsByYear W20795979772019 @default.
• W2079597977 countsByYear W20795979772020 @default.
• W2079597977 countsByYear W20795979772023 @default.
• W2079597977 crossrefType "journal-article" @default.
• W2079597977 hasAuthorship W2079597977A5030263769 @default.
• W2079597977 hasAuthorship W2079597977A5047652345 @default.
• W2079597977 hasAuthorship W2079597977A5053392592 @default.
• W2079597977 hasAuthorship W2079597977A5086870920 @default.
• W2079597977 hasConcept C121332964 @default.
• W2079597977 hasConcept C145148216 @default.
• W2079597977 hasConcept C147120987 @default.
• W2079597977 hasConcept C147597530 @default.
• W2079597977 hasConcept C147789679 @default.
• W2079597977 hasConcept C155860418 @default.
• W2079597977 hasConcept C168900304 @default.
• W2079597977 hasConcept C178790620 @default.
• W2079597977 hasConcept C184779094 @default.
• W2079597977 hasConcept C185592680 @default.
• W2079597977 hasConcept C2182769 @default.
• W2079597977 hasConcept C32909587 @default.
• W2079597977 hasConcept C35052450 @default.
• W2079597977 hasConcept C38649801 @default.
• W2079597977 hasConcept C62520636 @default.
• W2079597977 hasConceptScore W2079597977C121332964 @default.
• W2079597977 hasConceptScore W2079597977C145148216 @default.
• W2079597977 hasConceptScore W2079597977C147120987 @default.
• W2079597977 hasConceptScore W2079597977C147597530 @default.
• W2079597977 hasConceptScore W2079597977C147789679 @default.
• W2079597977 hasConceptScore W2079597977C155860418 @default.
• W2079597977 hasConceptScore W2079597977C168900304 @default.
• W2079597977 hasConceptScore W2079597977C178790620 @default.
• W2079597977 hasConceptScore W2079597977C184779094 @default.
• W2079597977 hasConceptScore W2079597977C185592680 @default.
• W2079597977 hasConceptScore W2079597977C2182769 @default.
• W2079597977 hasConceptScore W2079597977C32909587 @default.
• W2079597977 hasConceptScore W2079597977C35052450 @default.
• W2079597977 hasConceptScore W2079597977C38649801 @default.
• W2079597977 hasConceptScore W2079597977C62520636 @default.
• W2079597977 hasIssue "1-3" @default.
• W2079597977 hasLocation W20795979771 @default.
• W2079597977 hasOpenAccess W2079597977 @default.
• W2079597977 hasPrimaryLocation W20795979771 @default.
• W2079597977 hasRelatedWork W1575110448 @default.
• W2079597977 hasRelatedWork W1999310371 @default.
• W2079597977 hasRelatedWork W2121082168 @default.
• W2079597977 hasRelatedWork W2264381197 @default.
• W2079597977 hasRelatedWork W2316915363 @default.
• W2079597977 hasRelatedWork W2321327801 @default.
• W2079597977 hasRelatedWork W2330176101 @default.
• W2079597977 hasRelatedWork W2951725039 @default.
• W2079597977 hasRelatedWork W4386773705 @default.
• W2079597977 hasRelatedWork W4386782600 @default.

• next