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• W2017100858 startingPage "2864" @default.
• W2017100858 abstract "Zero-field splitting (ZFS) parameters of benzene, triphenylene, and coronene molecules in their lowest and second excited triplet states are calculated from the electron spin-spin interaction using semi-empirical self-consistentfield π-electron molecular orbitals. The results show that in obtaining a good agreement of the evaluated ZFS parameters with the experimental values the selection of the basis functions in LCAO-MO’s with zero-differential overlap is actually important. The ZFS parameters in some distorted structures are also calculated." @default.
• W2017100858 created "2016-06-24" @default.
• W2017100858 creator A5067680542 @default.
• W2017100858 date "1981-10-01" @default.
• W2017100858 modified "2023-09-26" @default.
• W2017100858 title "Electron Spin-Spin Interaction in Excited Triplet States of Aromatic Hydrocarbons with a Trigonal Symmetry Axis" @default.
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• W2017100858 doi "https://doi.org/10.1246/bcsj.54.2864" @default.
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