FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2002458791> ?p ?o ?g. }

• W2002458791 endingPage "074110" @default.
• W2002458791 startingPage "074110" @default.
• W2002458791 abstract "Recently developed correlation consistent basis sets for the first row transition metal elements Sc-Zn have been utilized to determine complete basis set (CBS) scalar relativistic electron affinities, ionization potentials, and 4s(2)3d(n-2)-4s(1)d(n-1) electronic excitation energies with single reference coupled cluster methods [CCSD(T), CCSDT, and CCSDTQ] and multireference configuration interaction with three reference spaces: 3d4s, 3d4s4p, and 3d4s4p3d'. The theoretical values calculated with the highest order coupled cluster techniques at the CBS limit, including extrapolations to full configuration interaction, are well within 1 kcal/mol of the corresponding experimental data. For the early transition metal elements (Sc-Mn) the internally contracted multireference averaged coupled pair functional method yielded excellent agreement with experiment; however, the atomic properties for the late transition metals (Mn-Zn) proved to be much more difficult to describe with this level of theory, even with the largest reference function of the present work." @default.
• W2002458791 created "2016-06-24" @default.
• W2002458791 creator A5002973392 @default.
• W2002458791 creator A5029596133 @default.
• W2002458791 date "2006-08-21" @default.
• W2002458791 modified "2023-10-14" @default.
• W2002458791 title "Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods" @default.
• W2002458791 cites W1520426989 @default.
• W2002458791 cites W1825456184 @default.
• W2002458791 cites W1965623082 @default.
• W2002458791 cites W1968371739 @default.
• W2002458791 cites W1975002236 @default.
• W2002458791 cites W1976006801 @default.
• W2002458791 cites W1982274673 @default.
• W2002458791 cites W1986738851 @default.
• W2002458791 cites W1987547360 @default.
• W2002458791 cites W1988382065 @default.
• W2002458791 cites W1989964669 @default.
• W2002458791 cites W2002782616 @default.
• W2002458791 cites W2008489596 @default.
• W2002458791 cites W2015639356 @default.
• W2002458791 cites W2016757280 @default.
• W2002458791 cites W2017344081 @default.
• W2002458791 cites W2018937156 @default.
• W2002458791 cites W2020821449 @default.
• W2002458791 cites W2022082869 @default.
• W2002458791 cites W2022591290 @default.
• W2002458791 cites W2026586009 @default.
• W2002458791 cites W2036664952 @default.
• W2002458791 cites W2038331854 @default.
• W2002458791 cites W2039084080 @default.
• W2002458791 cites W2039186235 @default.
• W2002458791 cites W2042068323 @default.
• W2002458791 cites W2043504437 @default.
• W2002458791 cites W2052312990 @default.
• W2002458791 cites W2052525902 @default.
• W2002458791 cites W2062354201 @default.
• W2002458791 cites W2073911681 @default.
• W2002458791 cites W2075486066 @default.
• W2002458791 cites W2077453595 @default.
• W2002458791 cites W2088116329 @default.
• W2002458791 cites W2089611043 @default.
• W2002458791 cites W2091143080 @default.
• W2002458791 cites W2092930273 @default.
• W2002458791 cites W2097574296 @default.
• W2002458791 cites W2104631894 @default.
• W2002458791 cites W2109314832 @default.
• W2002458791 cites W2110733790 @default.
• W2002458791 cites W2116373868 @default.
• W2002458791 cites W2134002147 @default.
• W2002458791 cites W2141717738 @default.
• W2002458791 cites W2157099738 @default.
• W2002458791 cites W2160425716 @default.
• W2002458791 cites W2170696532 @default.
• W2002458791 cites W3026475150 @default.
• W2002458791 cites W3100859786 @default.
• W2002458791 cites W4237374233 @default.
• W2002458791 doi "https://doi.org/10.1063/1.2335444" @default.
• W2002458791 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16942325" @default.
• W2002458791 hasPublicationYear "2006" @default.
• W2002458791 type Work @default.
• W2002458791 sameAs 2002458791 @default.
• W2002458791 citedByCount "226" @default.
• W2002458791 countsByYear W20024587912012 @default.
• W2002458791 countsByYear W20024587912013 @default.
• W2002458791 countsByYear W20024587912014 @default.
• W2002458791 countsByYear W20024587912015 @default.
• W2002458791 countsByYear W20024587912016 @default.
• W2002458791 countsByYear W20024587912017 @default.
• W2002458791 countsByYear W20024587912018 @default.
• W2002458791 countsByYear W20024587912019 @default.
• W2002458791 countsByYear W20024587912020 @default.
• W2002458791 countsByYear W20024587912021 @default.
• W2002458791 countsByYear W20024587912022 @default.
• W2002458791 countsByYear W20024587912023 @default.
• W2002458791 crossrefType "journal-article" @default.
• W2002458791 hasAuthorship W2002458791A5002973392 @default.
• W2002458791 hasAuthorship W2002458791A5029596133 @default.
• W2002458791 hasConcept C101848323 @default.
• W2002458791 hasConcept C106773901 @default.
• W2002458791 hasConcept C121332964 @default.
• W2002458791 hasConcept C127765767 @default.
• W2002458791 hasConcept C145148216 @default.
• W2002458791 hasConcept C147120987 @default.
• W2002458791 hasConcept C147192597 @default.
• W2002458791 hasConcept C147597530 @default.
• W2002458791 hasConcept C152365726 @default.
• W2002458791 hasConcept C161790260 @default.
• W2002458791 hasConcept C164866538 @default.
• W2002458791 hasConcept C178790620 @default.
• W2002458791 hasConcept C181500209 @default.
• W2002458791 hasConcept C184779094 @default.
• W2002458791 hasConcept C185592680 @default.
• W2002458791 hasConcept C19637589 @default.
• W2002458791 hasConcept C198291218 @default.
• W2002458791 hasConcept C199360897 @default.
• W2002458791 hasConcept C2524010 @default.
• W2002458791 hasConcept C2777529809 @default.

• next