FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2068536114> ?p ?o ?g. }

• W2068536114 endingPage "1543" @default.
• W2068536114 startingPage "1528" @default.
• W2068536114 abstract "Density functional theory calculations, with an effective core potential for the copper ion, and large polarized basis set functions have been used to construct the potential energy surface of the Cu+·(CO)n (n = 1–3) complexes. A linear configuration is obtained for the global minimum of the Cu+·CO and Cu+·(CO)2 complexes with a bond dissociation energy (BDE) of 35.9 and 40.0 kcal mol-1, respectively. For the Cu+·(CO)3 complex, a trigonal planar geometry is obtained for the global minimum with a BDE of 16.5 kcal mol−1. C-coordinated copper ion complexes exhibit stronger binding energy than O-coordinated complexes as a result of Clp → 4s σ-donation. The computed sequential BDEs of Cu+·(CO)n (n = 1–4) complexes agree well with experimental findings, in which the electrostatic energy and σ-donation play an important role in the observed trend." @default.
• W2068536114 created "2016-06-24" @default.
• W2068536114 creator A5003035684 @default.
• W2068536114 creator A5043314458 @default.
• W2068536114 creator A5057463111 @default.
• W2068536114 creator A5068502475 @default.
• W2068536114 date "2015-03-20" @default.
• W2068536114 modified "2023-09-23" @default.
• W2068536114 title "A density functional theory study of the Cu⁺·(CO)_n (<i>n</i> = 1–3) complexes" @default.
• W2068536114 cites W1963818903 @default.
• W2068536114 cites W1974479534 @default.
• W2068536114 cites W1984599229 @default.
• W2068536114 cites W1987101913 @default.
• W2068536114 cites W1987329715 @default.
• W2068536114 cites W1988599012 @default.
• W2068536114 cites W1990984132 @default.
• W2068536114 cites W2005976588 @default.
• W2068536114 cites W2011254772 @default.
• W2068536114 cites W2013393375 @default.
• W2068536114 cites W2014767176 @default.
• W2068536114 cites W2036927588 @default.
• W2068536114 cites W2038767330 @default.
• W2068536114 cites W2039409979 @default.
• W2068536114 cites W2041870619 @default.
• W2068536114 cites W2049684833 @default.
• W2068536114 cites W2059671641 @default.
• W2068536114 cites W2067429118 @default.
• W2068536114 cites W2076840425 @default.
• W2068536114 cites W2077348485 @default.
• W2068536114 cites W2077376429 @default.
• W2068536114 cites W2078755086 @default.
• W2068536114 cites W2079458939 @default.
• W2068536114 cites W2092141138 @default.
• W2068536114 cites W2095138836 @default.
• W2068536114 cites W2102807619 @default.
• W2068536114 cites W2127527286 @default.
• W2068536114 cites W2131856334 @default.
• W2068536114 cites W2148831615 @default.
• W2068536114 cites W2151220474 @default.
• W2068536114 cites W2160400591 @default.
• W2068536114 cites W315695317 @default.
• W2068536114 cites W4239495631 @default.
• W2068536114 cites W4241214627 @default.
• W2068536114 cites W4246447715 @default.
• W2068536114 cites W4249781521 @default.
• W2068536114 cites W4255916494 @default.
• W2068536114 doi "https://doi.org/10.1080/00958972.2015.1021343" @default.
• W2068536114 hasPublicationYear "2015" @default.
• W2068536114 type Work @default.
• W2068536114 sameAs 2068536114 @default.
• W2068536114 citedByCount "6" @default.
• W2068536114 countsByYear W20685361142016 @default.
• W2068536114 countsByYear W20685361142017 @default.
• W2068536114 countsByYear W20685361142020 @default.
• W2068536114 countsByYear W20685361142022 @default.
• W2068536114 countsByYear W20685361142023 @default.
• W2068536114 crossrefType "journal-article" @default.
• W2068536114 hasAuthorship W2068536114A5003035684 @default.
• W2068536114 hasAuthorship W2068536114A5043314458 @default.
• W2068536114 hasAuthorship W2068536114A5057463111 @default.
• W2068536114 hasAuthorship W2068536114A5068502475 @default.
• W2068536114 hasConcept C102931765 @default.
• W2068536114 hasConcept C121332964 @default.
• W2068536114 hasConcept C145148216 @default.
• W2068536114 hasConcept C147597530 @default.
• W2068536114 hasConcept C147789679 @default.
• W2068536114 hasConcept C152365726 @default.
• W2068536114 hasConcept C178790620 @default.
• W2068536114 hasConcept C179104552 @default.
• W2068536114 hasConcept C184779094 @default.
• W2068536114 hasConcept C185592680 @default.
• W2068536114 hasConcept C32909587 @default.
• W2068536114 hasConcept C544778455 @default.
• W2068536114 hasConcept C62396407 @default.
• W2068536114 hasConcept C65956243 @default.
• W2068536114 hasConcept C8010536 @default.
• W2068536114 hasConcept C93282013 @default.
• W2068536114 hasConceptScore W2068536114C102931765 @default.
• W2068536114 hasConceptScore W2068536114C121332964 @default.
• W2068536114 hasConceptScore W2068536114C145148216 @default.
• W2068536114 hasConceptScore W2068536114C147597530 @default.
• W2068536114 hasConceptScore W2068536114C147789679 @default.
• W2068536114 hasConceptScore W2068536114C152365726 @default.
• W2068536114 hasConceptScore W2068536114C178790620 @default.
• W2068536114 hasConceptScore W2068536114C179104552 @default.
• W2068536114 hasConceptScore W2068536114C184779094 @default.
• W2068536114 hasConceptScore W2068536114C185592680 @default.
• W2068536114 hasConceptScore W2068536114C32909587 @default.
• W2068536114 hasConceptScore W2068536114C544778455 @default.
• W2068536114 hasConceptScore W2068536114C62396407 @default.
• W2068536114 hasConceptScore W2068536114C65956243 @default.
• W2068536114 hasConceptScore W2068536114C8010536 @default.
• W2068536114 hasConceptScore W2068536114C93282013 @default.
• W2068536114 hasIssue "9" @default.
• W2068536114 hasLocation W20685361141 @default.
• W2068536114 hasOpenAccess W2068536114 @default.
• W2068536114 hasPrimaryLocation W20685361141 @default.
• W2068536114 hasRelatedWork W1980474083 @default.

• next