Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077524552> ?p ?o ?g. }
- W2077524552 endingPage "5229" @default.
- W2077524552 startingPage "5222" @default.
- W2077524552 abstract "We investigated noble gas−copper bonds in linear complexes represented by the NgCuX general formula in which Ng and X stand for a noble gas (neon, argon, krypton, or xenon) and a halogen (fluorine, chlorine or bromine), respectively, by coupled cluster methods and modified cc-pVQZ basis sets. The quantum theory of atoms in molecules (QTAIM) shows a linear relation between the dissociation energy of noble gas−copper bonds and the amount of electronic charge transferred mainly from the noble gas to copper during complexation. Large changes in the QTAIM quadrupole moments of copper and noble gases resulting from this bonding and a comparison between NgCuX and NgNaCl systems indicate that these noble gas−copper bonds should be better interpreted as predominantly covalent. Finally, QTAIM atomic dipoles of noble gases in NgNaCl systems agree satisfactorily with atomic dipoles given by a simple model for these NgNa van der Waals bonds." @default.
- W2077524552 created "2016-06-24" @default.
- W2077524552 creator A5023708186 @default.
- W2077524552 creator A5026333801 @default.
- W2077524552 creator A5081881549 @default.
- W2077524552 date "2010-03-30" @default.
- W2077524552 modified "2023-09-30" @default.
- W2077524552 title "Investigating the Nature of Noble Gas−Copper Bonds by the Quantum Theory of Atoms in Molecules" @default.
- W2077524552 cites W1504277857 @default.
- W2077524552 cites W1650728208 @default.
- W2077524552 cites W1964172939 @default.
- W2077524552 cites W1964715188 @default.
- W2077524552 cites W1965299221 @default.
- W2077524552 cites W1966235871 @default.
- W2077524552 cites W1975300371 @default.
- W2077524552 cites W1979943464 @default.
- W2077524552 cites W1985264891 @default.
- W2077524552 cites W1989224265 @default.
- W2077524552 cites W1991688817 @default.
- W2077524552 cites W1994240164 @default.
- W2077524552 cites W1996846370 @default.
- W2077524552 cites W2000530658 @default.
- W2077524552 cites W2003683712 @default.
- W2077524552 cites W2009648773 @default.
- W2077524552 cites W2016023406 @default.
- W2077524552 cites W2019608000 @default.
- W2077524552 cites W2020664780 @default.
- W2077524552 cites W2021329301 @default.
- W2077524552 cites W2028043239 @default.
- W2077524552 cites W2029083068 @default.
- W2077524552 cites W2030761307 @default.
- W2077524552 cites W2038569733 @default.
- W2077524552 cites W2039280008 @default.
- W2077524552 cites W2039949202 @default.
- W2077524552 cites W2040003659 @default.
- W2077524552 cites W2049058194 @default.
- W2077524552 cites W2050076732 @default.
- W2077524552 cites W2065839048 @default.
- W2077524552 cites W2069006374 @default.
- W2077524552 cites W2079366062 @default.
- W2077524552 cites W2080791889 @default.
- W2077524552 cites W2080941474 @default.
- W2077524552 cites W2093684271 @default.
- W2077524552 cites W2097574296 @default.
- W2077524552 cites W2148941593 @default.
- W2077524552 cites W2151220474 @default.
- W2077524552 cites W4233998925 @default.
- W2077524552 cites W4240035468 @default.
- W2077524552 cites W4246758732 @default.
- W2077524552 cites W2031030018 @default.
- W2077524552 doi "https://doi.org/10.1021/jp1011439" @default.
- W2077524552 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20353198" @default.
- W2077524552 hasPublicationYear "2010" @default.
- W2077524552 type Work @default.
- W2077524552 sameAs 2077524552 @default.
- W2077524552 citedByCount "15" @default.
- W2077524552 countsByYear W20775245522012 @default.
- W2077524552 countsByYear W20775245522013 @default.
- W2077524552 countsByYear W20775245522014 @default.
- W2077524552 countsByYear W20775245522015 @default.
- W2077524552 countsByYear W20775245522017 @default.
- W2077524552 countsByYear W20775245522022 @default.
- W2077524552 countsByYear W20775245522023 @default.
- W2077524552 crossrefType "journal-article" @default.
- W2077524552 hasAuthorship W2077524552A5023708186 @default.
- W2077524552 hasAuthorship W2077524552A5026333801 @default.
- W2077524552 hasAuthorship W2077524552A5081881549 @default.
- W2077524552 hasConcept C102931765 @default.
- W2077524552 hasConcept C121332964 @default.
- W2077524552 hasConcept C121530826 @default.
- W2077524552 hasConcept C126061179 @default.
- W2077524552 hasConcept C147789679 @default.
- W2077524552 hasConcept C159467904 @default.
- W2077524552 hasConcept C178790620 @default.
- W2077524552 hasConcept C184779094 @default.
- W2077524552 hasConcept C185592680 @default.
- W2077524552 hasConcept C32909587 @default.
- W2077524552 hasConcept C521692839 @default.
- W2077524552 hasConcept C522602180 @default.
- W2077524552 hasConcept C544778455 @default.
- W2077524552 hasConcept C547737533 @default.
- W2077524552 hasConcept C548442186 @default.
- W2077524552 hasConcept C63385615 @default.
- W2077524552 hasConceptScore W2077524552C102931765 @default.
- W2077524552 hasConceptScore W2077524552C121332964 @default.
- W2077524552 hasConceptScore W2077524552C121530826 @default.
- W2077524552 hasConceptScore W2077524552C126061179 @default.
- W2077524552 hasConceptScore W2077524552C147789679 @default.
- W2077524552 hasConceptScore W2077524552C159467904 @default.
- W2077524552 hasConceptScore W2077524552C178790620 @default.
- W2077524552 hasConceptScore W2077524552C184779094 @default.
- W2077524552 hasConceptScore W2077524552C185592680 @default.
- W2077524552 hasConceptScore W2077524552C32909587 @default.
- W2077524552 hasConceptScore W2077524552C521692839 @default.
- W2077524552 hasConceptScore W2077524552C522602180 @default.
- W2077524552 hasConceptScore W2077524552C544778455 @default.
- W2077524552 hasConceptScore W2077524552C547737533 @default.
- W2077524552 hasConceptScore W2077524552C548442186 @default.