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Chemical Communications (Cambridge, England)|October 26, 2021
A combined DFTB nanoreactor and reaction network generator approach for the mechanism of hydrocarbon combustionJiawei Bai, Xingchen Liu, Tingyu Lei, et al.The Journal of Physical Chemistry Letters|September 23, 2021
Insights into Coke Formation and Removal under Operating Conditions with a Quantum Nanoreactor ApproachTingyu Lei, Xingchen Liu, Amar Deep Pathak, et al.Materials (Basel, Switzerland)|February 15, 2022
Theoretical Mechanism on the Cellulose Regeneration from a Cellulose/EmimOAc Mixture in Anti-SolventsZhaoyang Ju, Yihang Yu, Shaokeng Feng, et al.The Journal of Physical Chemistry. A|February 27, 2023
An Efficient Way to Model Complex Iron Carbides: A Benchmark Study of DFTB2 against DFTJiawei Bai, Xingchen Liu, Wenping Guo, et al.RSC Advances|April 15, 2022
Probing the mechanism of the conversion of methyl levulinate into γ-valerolactone catalyzed by Al(OiPr)<sub>3</sub> in an alcohol solvent: a DFT studyZhaoyang Ju, Shaokeng Feng, Lanhui Ren, et al.ACS Nano|January 6, 2025
Highly Elastic Spongelike Hydrogels for Impedance-Based Multimodal SensingXiangyu Duan, Yongzhen Mi, Tingyu Lei, et al.Nature Communications|January 11, 2022
Enhanced hydrogen generation by reverse spillover effects over bicomponent catalystsZhe Gao, Guofu Wang, Tingyu Lei, et al.Journal of Chemical Theory and Computation|May 24, 2019
Mechanism of Graphene Formation via Detonation Synthesis: A DFTB Nanoreactor ApproachTingyu Lei, Wenping Guo, Qingya Liu, et al.Nature Communications|August 26, 2025
Efficient conversion of polyethylene to light olefins by self-confined cracking and reformingZhongwen Dong, Bo Peng, Nantian Xiao, et al.Pageof 1