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Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 1, 页码: 11-21
作者:  Pereira Florbela[1];  Xiao Kaixia[2];  Latino Diogo A R S[3];  Wu Chengcheng[4];  Zhang Qingyou[5]
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