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Journal of Chemical Theory and Computation|August 15, 2017
Time-Dependent Coupled Perturbed Hartree-Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular OrbitalsDaoling Peng, Shaopeng Li, Liang Peng, et al.Journal of Computational Chemistry|April 18, 2009
Elongation cutoff technique armed with quantum fast multipole method for linear scalingJacek Korchowiec, Jakub Lewandowski, Marcin Makowski, et al.The Journal of Chemical Physics|May 27, 2009
Band structures built by the elongation methodAnna Pomogaeva, Michael Springborg, Bernard Kirtman, et al.The Journal of Physical Chemistry Letters|December 13, 2022
Trajectory Propagation of Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian Using Machine LearningKunni Lin, Jiawei Peng, Chao Xu, et al.Journal of Chemical Theory and Computation|October 3, 2022
Automatic Evolution of Machine-Learning-Based Quantum Dynamics with Uncertainty AnalysisKunni Lin, Jiawei Peng, Chao Xu, et al.Journal of Hazardous Materials|May 7, 2016
Significant visible-light photocatalytic enhancement in Rhodamine B degradation of silver orthophosphate via the hybridization of N-doped graphene and poly(3-hexylthiophene)Yanlin Zhang, Churu Xie, Feng Long Gu, et al.Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences|July 28, 2025
HPLC analysis of gingerols and shogaols discriminated from ginger extracts with a diode array detectorJinhui Liu, Xiongjun Zuo, Dan Wang, et al.Journal of Molecular Modeling|September 25, 2017
DFT study of benzyl alcohol/TiO2 interfacial surface complex: reaction pathway and mechanism of visible light absorptionLei Zhao, Feng Long Gu, Minjae Kim, et al.Biomaterials Science|February 16, 2022
The molecular design of performance-enhanced intraocular lens compositesYan Mao, Hong Liu, Feng Long Gu, et al.Chemosphere|July 19, 2023
Kinetics and mechanism of triclocarban degradation by the chlorination process: Theoretical calculation and experimental verificationTao Peng, Chao Xu, Bin Yang, et al.Pageof 1,072