X3LYP、M052X和M062X DFT方法在研究生物分子5-氨基酸振动谱中的性能*

M. Palafox, Kaushal Rani, W. Kiefer, Sudheer Kumar Singh, M. J. Alam, J. K. Vats, V. Rastogi
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The performance of the X3LYP, M052X and M062X DFT methods in the study of the vibrational spectra of the biomolecule 5-Aminoorotic acid*
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