Improving the Accuracy of Density Functional Theory (DFT) Calculation for Homolysis Bond Dissociation Energies of Y-NO Bond: Generalized Regression Neural Network Based on Grey Relational Analysis and Principal Component Analysis

Author： Li Hong Zhi   Tao Wei   Gao Ting   Li Hui   Lu Ying Hua   Su Zhong Min  

Publisher： MDPI

E-ISSN： 1422-0067|12|4|2242-2261

ISSN： 1422-0067

Source： International Journal of Molecular Sciences, Vol.12, Iss.4, 2011-04, pp. : 2242-2261

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