FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073647563> ?p ?o ?g. }

• W2073647563 endingPage "14765" @default.
• W2073647563 startingPage "14760" @default.
• W2073647563 abstract "A description of the electronic structure of F3UCO, F3NdCO, F4UCO, and F5UCO has been obtained by Complete Active Space second-order perturbation theory CASPT2 calculations using a relativistic effective core potential. These multiconfigurational calculations have been compared to the DFT description combined with a quasi-relativistic ZORA scalar approach. Geometries have been optimized for both levels of calculations and frequencies computed in the DFT formalism. The bonding properties of U(III) have been compared to those of Nd(III) and of higher oxidation states of U(IV,V). Both methodologies are consistent and show a decrease of the covalent character of the U−CO bonding with a higher oxidation state, U(IV) or U(V), as well as its absence for for the isoelectronic Nd(III) species." @default.
• W2073647563 created "2016-06-24" @default.
• W2073647563 creator A5069821016 @default.
• W2073647563 creator A5075402990 @default.
• W2073647563 creator A5077618453 @default.
• W2073647563 creator A5085859620 @default.
• W2073647563 date "2009-11-05" @default.
• W2073647563 modified "2023-09-30" @default.
• W2073647563 title "Covalent vs Electrostatic Interactions in Rare Earth Systems: A Comparative Study of U(III), U(IV), and U(V) and Nd(III) Bonding Properties by DFT and CAS-PT2 Approaches" @default.
• W2073647563 cites W1968800742 @default.
• W2073647563 cites W1969986307 @default.
• W2073647563 cites W1970038350 @default.
• W2073647563 cites W1976205378 @default.
• W2073647563 cites W1981233344 @default.
• W2073647563 cites W1982749629 @default.
• W2073647563 cites W1983530599 @default.
• W2073647563 cites W1992446568 @default.
• W2073647563 cites W1993774897 @default.
• W2073647563 cites W1994682089 @default.
• W2073647563 cites W1997641598 @default.
• W2073647563 cites W2003774307 @default.
• W2073647563 cites W2012778107 @default.
• W2073647563 cites W2017722938 @default.
• W2073647563 cites W2020114693 @default.
• W2073647563 cites W2026443993 @default.
• W2073647563 cites W2028975283 @default.
• W2073647563 cites W2038533471 @default.
• W2073647563 cites W2041927837 @default.
• W2073647563 cites W2042614844 @default.
• W2073647563 cites W2044020102 @default.
• W2073647563 cites W2044662702 @default.
• W2073647563 cites W2055230539 @default.
• W2073647563 cites W2063667621 @default.
• W2073647563 cites W2069729269 @default.
• W2073647563 cites W2072962826 @default.
• W2073647563 cites W2076546523 @default.
• W2073647563 cites W2085890322 @default.
• W2073647563 cites W2086957099 @default.
• W2073647563 cites W2089697072 @default.
• W2073647563 cites W2090135568 @default.
• W2073647563 cites W2097422001 @default.
• W2073647563 cites W2118688259 @default.
• W2073647563 cites W2126952850 @default.
• W2073647563 cites W2166739348 @default.
• W2073647563 cites W2499303338 @default.
• W2073647563 doi "https://doi.org/10.1021/jp904889w" @default.
• W2073647563 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19891466" @default.
• W2073647563 hasPublicationYear "2009" @default.
• W2073647563 type Work @default.
• W2073647563 sameAs 2073647563 @default.
• W2073647563 citedByCount "15" @default.
• W2073647563 countsByYear W20736475632013 @default.
• W2073647563 countsByYear W20736475632014 @default.
• W2073647563 countsByYear W20736475632016 @default.
• W2073647563 countsByYear W20736475632017 @default.
• W2073647563 countsByYear W20736475632018 @default.
• W2073647563 countsByYear W20736475632019 @default.
• W2073647563 countsByYear W20736475632022 @default.
• W2073647563 countsByYear W20736475632023 @default.
• W2073647563 crossrefType "journal-article" @default.
• W2073647563 hasAuthorship W2073647563A5069821016 @default.
• W2073647563 hasAuthorship W2073647563A5075402990 @default.
• W2073647563 hasAuthorship W2073647563A5077618453 @default.
• W2073647563 hasAuthorship W2073647563A5085859620 @default.
• W2073647563 hasConcept C121332964 @default.
• W2073647563 hasConcept C142362112 @default.
• W2073647563 hasConcept C147597530 @default.
• W2073647563 hasConcept C153349607 @default.
• W2073647563 hasConcept C174256460 @default.
• W2073647563 hasConcept C178790620 @default.
• W2073647563 hasConcept C180577832 @default.
• W2073647563 hasConcept C184779094 @default.
• W2073647563 hasConcept C185592680 @default.
• W2073647563 hasConcept C558565934 @default.
• W2073647563 hasConcept C62520636 @default.
• W2073647563 hasConcept C73301696 @default.
• W2073647563 hasConcept C8010536 @default.
• W2073647563 hasConcept C81263218 @default.
• W2073647563 hasConcept C86025842 @default.
• W2073647563 hasConceptScore W2073647563C121332964 @default.
• W2073647563 hasConceptScore W2073647563C142362112 @default.
• W2073647563 hasConceptScore W2073647563C147597530 @default.
• W2073647563 hasConceptScore W2073647563C153349607 @default.
• W2073647563 hasConceptScore W2073647563C174256460 @default.
• W2073647563 hasConceptScore W2073647563C178790620 @default.
• W2073647563 hasConceptScore W2073647563C180577832 @default.
• W2073647563 hasConceptScore W2073647563C184779094 @default.
• W2073647563 hasConceptScore W2073647563C185592680 @default.
• W2073647563 hasConceptScore W2073647563C558565934 @default.
• W2073647563 hasConceptScore W2073647563C62520636 @default.
• W2073647563 hasConceptScore W2073647563C73301696 @default.
• W2073647563 hasConceptScore W2073647563C8010536 @default.
• W2073647563 hasConceptScore W2073647563C81263218 @default.
• W2073647563 hasConceptScore W2073647563C86025842 @default.
• W2073647563 hasIssue "52" @default.
• W2073647563 hasLocation W20736475631 @default.
• W2073647563 hasLocation W20736475632 @default.
• W2073647563 hasOpenAccess W2073647563 @default.

• next