Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
Pan, Xiaoliang, Li, Pengfei, Ho, Junming, Pu, Jingzhi, Mei, Ye, Shao, Yihan
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Published in Physical chemistry chemical physics : PCCP (07.10.2019)
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Published in Nature communications (04.11.2021)
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Side-chain-type anion exchange membranes bearing pendant quaternary ammonium groups via flexible spacers for fuel cells
Lin, Chen Xiao, Huang, Xiao Ling, Guo, Dong, Zhang, Qiu Gen, Zhu, Ai Mei, Ye, Mei Ling, Liu, Qing Lin
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2016)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2016)
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Ye, Mei-Yan, Lan, Hu-Jiao, Liu, Jian-Zhong
Published in International journal of molecular sciences (01.01.2024)
Published in International journal of molecular sciences (01.01.2024)
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Understanding of chiral site-dependent enantioselective identification on a plasmon-free semiconductor based SERS substrate
Xu, Jing, Xue, Yuanfei, Jian, Xiaoxia, Zhao, Yue, Dai, Zhenqing, Xu, Jingwen, Gao, Zhida, Mei, Ye, Song, Yan-Yan
Published in Chemical science (Cambridge) (07.06.2022)
Published in Chemical science (Cambridge) (07.06.2022)
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Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations
Yao, Songyuan, Van, Richard, Pan, Xiaoliang, Park, Ji Hwan, Mao, Yuezhi, Pu, Jingzhi, Mei, Ye, Shao, Yihan
Published in RSC advances (31.01.2023)
Published in RSC advances (31.01.2023)
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Competitive Molecular and Dissociative Hydrogen Chemisorption on Size Selected Doubly Rhodium Doped Aluminum Clusters
Vanbuel, Jan, Jia, Mei-ye, Ferrari, Piero, Gewinner, Sandy, Schöllkopf, Wieland, Nguyen, Minh Tho, Fielicke, André, Janssens, Ewald
Published in Topics in catalysis (01.03.2018)
Published in Topics in catalysis (01.03.2018)
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Integrating high-entropy alloy oxides with porous wood architectures for boosted salt-resistant water evaporation
Fan, De-Qi, Liao, Ye-Mei, Wang, Xiang, Lu, Yi, Mi, Yan, Yang, Xiao-Fei
Published in Rare metals (01.12.2023)
Published in Rare metals (01.12.2023)
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Potent inhibitors targeting cyclin-dependent kinase 9 discovered via virtual high-throughput screening and absolute binding free energy calculations
Wang, Shipeng, Liu, Fengjiao, Li, Pengfei, Wang, Jia-Ning, Mo, Yan, Lin, Bin, Mei, Ye
Published in Physical chemistry chemical physics : PCCP (07.02.2024)
Published in Physical chemistry chemical physics : PCCP (07.02.2024)
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SHRIMP zircon U–Pb geochronological and whole-rock geochemical evidence for an early Neoproterozoic Sibaoan magmatic arc along the southeastern margin of the Yangtze Block
Ye, Mei-Fang, Li, Xian-Hua, Li, Wu-Xian, Liu, Ying, Li, Zheng-Xiang
Published in Gondwana research (01.08.2007)
Published in Gondwana research (01.08.2007)
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Engineering large-scaled electrochromic semiconductor films as reproductive SERS substrates for operando investigation at the solid/liquid interfaces
Yang, Lingling, Feng, Jiuju, Wang, Jia-Ning, Gao, Zhida, Xu, Jingwen, Mei, Ye, Song, Yan-Yan
Published in Chinese chemical letters (01.12.2022)
Published in Chinese chemical letters (01.12.2022)
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