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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034198551> ?p ?o ?g. }

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• W2034198551 abstract "We report molecular response properties of open-shell doublet radicals, obtained analytically using Fock space multi-reference coupled-cluster linear response theory wherein the radicals described can be treated as electron-attached states of closed-shell cations. In particular, we report the dipole moments of CH, SiH and NO radicals and the corresponding cations. The results have been compared with finite-field Fock space multi-reference coupled-cluster results using relaxed orbitals as well as those obtained using single-reference coupled cluster based response theory, and with experimental numbers." @default.
• W2034198551 created "2016-06-24" @default.
• W2034198551 creator A5018237366 @default.
• W2034198551 creator A5080755369 @default.
• W2034198551 date "1999-08-01" @default.
• W2034198551 modified "2023-09-25" @default.
• W2034198551 title "Dipole moments of open-shell radicals using an analytic linear response approach in the Fock space multi-reference coupled cluster method" @default.
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• W2034198551 doi "https://doi.org/10.1016/s0009-2614(99)00702-2" @default.
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