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- W2394481517 abstract "The local structure,optical spectra,electron paramagnetic resonance(EPR) spectra and susceptibility of NiSO_4.6H_2O crystal at room temperature are calculated with a semi-SCF d-orbit wave function model for free Ni~(2+) ions,a point-charge model and Ballhausen's SCF wave functions for O~(2-) using a complete diagonalization procedure(CDP).Theoretical results are in good agreement with experimental data.Some controversial issues,such as perturbation method,LCAO-MO method,parameter fitting and Clementi's single-zeta wave function are explained." @default.
- W2394481517 created "2016-06-24" @default.
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- W2394481517 date "2006-01-01" @default.
- W2394481517 modified "2023-09-23" @default.
- W2394481517 title "A Theoretical Study on the Local Structure,Optical Spectra and EPR Spectra of NiSO_4·6H_2O Crystals" @default.
- W2394481517 hasPublicationYear "2006" @default.
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