FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W65804857> ?p ?o ?g. }

• W65804857 endingPage "204309" @default.
• W65804857 startingPage "204309" @default.
• W65804857 abstract "A theoretical study is presented of the electronic spectra of the UO(2) (2+) and UO(2)Cl(4) (2-) ions, based on multiconfigurational perturbation theory (CASSCF/CASPT2), combined with a recently developed method to treat spin-orbit coupling [P.-A. Malmqvist et al., Chem. Phys. Lett. 357, 230 (2002); B. O. Roos and P.-A. Malmqvist, Phys. Chem. Chem. Phys. 6, 2919 (2004)]. The results are compared to the experimental spectroscopic data obtained for uranyl ions in Cs(2)UO(2)Cl(4) crystals from Denning [Struct. Bonding (Berlin) 79, 215 (1992)] and to previous theoretical calculations performed using a combined configuration-interaction spin-orbit treatment [Z. Zhang and R. M. Pitzer, J. Phys. Chem. A 103, 6880 (1999); S. Matsika and R. M. Pitzer, J. Phys. Chem. A. 105, 637 (2001)]. As opposed to the latter results, the calculations performed in this work point to a significant effect of the weakly bound equatorial chlorine ligands on the excitation energies." @default.
• W65804857 created "2016-06-24" @default.
• W65804857 creator A5024313018 @default.
• W65804857 creator A5043852315 @default.
• W65804857 date "2005-11-22" @default.
• W65804857 modified "2023-09-26" @default.
• W65804857 title "Electronic structure and spectrum of UO22+ and UO2Cl42−" @default.
• W65804857 cites W1662206966 @default.
• W65804857 cites W1968800742 @default.
• W65804857 cites W1994136125 @default.
• W65804857 cites W1995747587 @default.
• W65804857 cites W1997041494 @default.
• W65804857 cites W2012778107 @default.
• W65804857 cites W2023071471 @default.
• W65804857 cites W2030380628 @default.
• W65804857 cites W2033350221 @default.
• W65804857 cites W2037525159 @default.
• W65804857 cites W2043030248 @default.
• W65804857 cites W2046471889 @default.
• W65804857 cites W2050866708 @default.
• W65804857 cites W2051921500 @default.
• W65804857 cites W2052312990 @default.
• W65804857 cites W2056657488 @default.
• W65804857 cites W2076263093 @default.
• W65804857 cites W2078098050 @default.
• W65804857 cites W2078177861 @default.
• W65804857 cites W2102016180 @default.
• W65804857 cites W2112269376 @default.
• W65804857 cites W2143838347 @default.
• W65804857 cites W2145664121 @default.
• W65804857 cites W2149877509 @default.
• W65804857 cites W2167166362 @default.
• W65804857 cites W2182738981 @default.
• W65804857 cites W2234476904 @default.
• W65804857 cites W2325899604 @default.
• W65804857 cites W2801258220 @default.
• W65804857 cites W2951010950 @default.
• W65804857 cites W2952747611 @default.
• W65804857 cites W4211098133 @default.
• W65804857 cites W4251375550 @default.
• W65804857 cites W4254255198 @default.
• W65804857 doi "https://doi.org/10.1063/1.2121608" @default.
• W65804857 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16351258" @default.
• W65804857 hasPublicationYear "2005" @default.
• W65804857 type Work @default.
• W65804857 sameAs 65804857 @default.
• W65804857 citedByCount "111" @default.
• W65804857 countsByYear W658048572012 @default.
• W65804857 countsByYear W658048572013 @default.
• W65804857 countsByYear W658048572014 @default.
• W65804857 countsByYear W658048572015 @default.
• W65804857 countsByYear W658048572016 @default.
• W65804857 countsByYear W658048572017 @default.
• W65804857 countsByYear W658048572018 @default.
• W65804857 countsByYear W658048572019 @default.
• W65804857 countsByYear W658048572020 @default.
• W65804857 countsByYear W658048572021 @default.
• W65804857 countsByYear W658048572022 @default.
• W65804857 countsByYear W658048572023 @default.
• W65804857 crossrefType "journal-article" @default.
• W65804857 hasAuthorship W65804857A5024313018 @default.
• W65804857 hasAuthorship W65804857A5043852315 @default.
• W65804857 hasConcept C121332964 @default.
• W65804857 hasConcept C125020911 @default.
• W65804857 hasConcept C145148216 @default.
• W65804857 hasConcept C147597530 @default.
• W65804857 hasConcept C147789679 @default.
• W65804857 hasConcept C174256460 @default.
• W65804857 hasConcept C178790620 @default.
• W65804857 hasConcept C184779094 @default.
• W65804857 hasConcept C185592680 @default.
• W65804857 hasConcept C26873012 @default.
• W65804857 hasConcept C2778468930 @default.
• W65804857 hasConcept C62520636 @default.
• W65804857 hasConcept C86025842 @default.
• W65804857 hasConceptScore W65804857C121332964 @default.
• W65804857 hasConceptScore W65804857C125020911 @default.
• W65804857 hasConceptScore W65804857C145148216 @default.
• W65804857 hasConceptScore W65804857C147597530 @default.
• W65804857 hasConceptScore W65804857C147789679 @default.
• W65804857 hasConceptScore W65804857C174256460 @default.
• W65804857 hasConceptScore W65804857C178790620 @default.
• W65804857 hasConceptScore W65804857C184779094 @default.
• W65804857 hasConceptScore W65804857C185592680 @default.
• W65804857 hasConceptScore W65804857C26873012 @default.
• W65804857 hasConceptScore W65804857C2778468930 @default.
• W65804857 hasConceptScore W65804857C62520636 @default.
• W65804857 hasConceptScore W65804857C86025842 @default.
• W65804857 hasIssue "20" @default.
• W65804857 hasLocation W658048571 @default.
• W65804857 hasLocation W658048572 @default.
• W65804857 hasOpenAccess W65804857 @default.
• W65804857 hasPrimaryLocation W658048571 @default.
• W65804857 hasRelatedWork W1680758390 @default.
• W65804857 hasRelatedWork W1856935061 @default.
• W65804857 hasRelatedWork W1985047006 @default.
• W65804857 hasRelatedWork W2015781962 @default.
• W65804857 hasRelatedWork W2061182406 @default.

• next