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- Effect of hindered internal rotation treatments on predicting the thermodynamic properties of alkanes. Yage Gao, Tanjin He, Xiaoyu Li, Xiaoqing You
, Phys. Chem. Chem. Phys.
, 2019
, 21
, 1928
- Big data benchmarking: how do DFT methods across the rungs of Jacob's ladder perform for a dataset of 122k CCSD(T) total atomization energies?. Amir Karton
, Phys. Chem. Chem. Phys.
, 2024
, 26
, 14594
- Use of a neural network to determine the boiling point of alkanes. Driss Cherqaoui, Didier Villemin
, J. Chem. Soc., Faraday Trans.
, 1994
, 90
, 97
- Prediction of quantitative calibration factors of some organic compounds in gas chromatography. Feng Luan, Hui Tao Liu, Yingying Wen, Xiaoyun Zhang
, Analyst
, 2008
, 133
, 881
- An adaptive distance-based group contribution method for thermodynamic property prediction. Tanjin He, Shuang Li, Yawei Chi, Hong-Bo Zhang, Zhi Wang, Bin Yang, Xin He, Xiaoqing You
, Phys. Chem. Chem. Phys.
, 2016
, 18
, 23822