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Basis set effects on the stability of the Cl2O3 isomers using B3P86 and B3LYP methods of density functional theory Kim, KH; Han, YK; Lee, Yoon Sup, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, v.460, no.1-3, pp.19 - 25, 1999-02 |
Combined Spectroscopic and Computational Analysis of the Vibrational Properties of Vitamin B-12 in its Co3+, Co2+, and Co1+ Oxidation States Park, Kiyoung; Brunold, Thomas C., JOURNAL OF PHYSICAL CHEMISTRY B, v.117, no.18, pp.5397 - 5410, 2013-05 |
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