Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies
Li, Yi-Pei, Gomes, Joseph, Mallikarjun Sharada, Shaama, Bell, Alexis T, Head-Gordon, Martin
Published in Journal of physical chemistry. C (29.01.2015)
Published in Journal of physical chemistry. C (29.01.2015)
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Journal Article
Diels–Alder Conversion of Acrylic Acid and 2,5‐Dimethylfuran to para‐Xylene Over Heterogeneous Bi‐BTC Metal‐Organic Framework Catalysts Under Mild Conditions
Yeh, Jyun‐Yi, Chen, Season S., Li, Shih‐Cheng, Chen, Celine H., Shishido, Tetsuya, Tsang, Daniel C. W., Yamauchi, Yusuke, Li, Yi‐Pei, Wu, Kevin C.‐W.
Published in Angewandte Chemie International Edition (11.01.2021)
Published in Angewandte Chemie International Edition (11.01.2021)
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Journal Article
Fast Water Transport in UTSA‐280 via a Knock‐Off Mechanism
Hsu, Cheng‐Hsun, Yu, Hsin‐Yu, Lee, Ho Jun, Wu, Pei‐Hao, Huang, Shing‐Jong, Lee, Jong Suk, Yu, Tsyr‐Yan, Li, Yi‐Pei, Kang, Dun‐Yen
Published in Angewandte Chemie International Edition (25.09.2023)
Published in Angewandte Chemie International Edition (25.09.2023)
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Journal Article
Quantum Mechanical Calculations for Biomass Valorization over Metal‐Organic Frameworks (MOFs)
Yeh, Jyun‐Yi, Li, Shih‐Cheng, Chen, Celine H., Wu, Kevin C.‐W., Li, Yi‐Pei
Published in Chemistry, an Asian journal (03.05.2021)
Published in Chemistry, an Asian journal (03.05.2021)
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Journal Article
Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software
Dana, Alon Grinberg, Johnson, Matthew S., Allen, Joshua W., Sharma, Sandeep, Raman, Sumathy, Liu, Mengjie, Gao, Connie W., Grambow, Colin A., Goldman, Mark J., Ranasinghe, Duminda S., Gillis, Ryan J., Payne, A. Mark, Li, Yi‐Pei, Dong, Xiaorui, Spiekermann, Kevin A., Wu, Haoyang, Dames, Enoch E., Buras, Zachary J., Vandewiele, Nick M., Yee, Nathan W., Merchant, Shamel S., Buesser, Beat, Class, Caleb A., Goldsmith, Franklin, West, Richard H., Green, William H.
Published in International journal of chemical kinetics (01.06.2023)
Published in International journal of chemical kinetics (01.06.2023)
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Journal Article
Vitamin K2 suppresses rotenone-induced microglial activation in vitro
Yu, Yan-xia, Li, Yi-pei, Gao, Feng, Hu, Qing-song, Zhang, Yan, Chen, Dong, Wang, Guang-hui
Published in Acta pharmacologica Sinica (01.09.2016)
Published in Acta pharmacologica Sinica (01.09.2016)
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Journal Article
Quantifying Flood Frequency Modification Caused by Multi-Reservoir Regulation
Tang, Yi-han, Wu, Jie-feng, Li, Pei-yi, Zhang, Li-juan, Chen, Xiao-hong, Lin, Kai-rong
Published in Water resources management (01.10.2019)
Published in Water resources management (01.10.2019)
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Journal Article
Mixed-linker strategy for suppressing structural flexibility of metal-organic framework membranes for gas separation
Chang, Chung-Kai, Ko, Ting-Rong, Lin, Tsai-Yu, Lin, Yen-Chun, Yu, Hyun Jung, Lee, Jong Suk, Li, Yi-Pei, Wu, Heng-Liang, Kang, Dun-Yen
Published in Communications chemistry (10.06.2023)
Published in Communications chemistry (10.06.2023)
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Journal Article
Accurate Thermochemistry with Small Data Sets: A Bond Additivity Correction and Transfer Learning Approach
Grambow, Colin A, Li, Yi-Pei, Green, William H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.07.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.07.2019)
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Journal Article
Tai Chi Chuan Exercise Improves Lung Function and Asthma Control through Immune Regulation in Childhood Asthma
Sun, Wei-Zen, Wang, Li-Chieh, Yang, Yao-Hsu, Lin, Yu-Tsan, Yu, Hsin-Hui, Lee, Jyh-Hong, Chiang, Bor-Luen, Lin, Han-Hong, Liao, Pei-Chun, Li, Pei-Yi
Published in Evidence-based complementary and alternative medicine (2019)
Published in Evidence-based complementary and alternative medicine (2019)
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Journal Article
Tai-Chi-Chuan Exercise Improves Pulmonary Function and Decreases Exhaled Nitric Oxide Level in Both Asthmatic and Nonasthmatic Children and Improves Quality of Life in Children with Asthma
Chiang, Bor-Luen, Sun, Wei-Zen, Yang, Yao-Hsu, Lin, Yu-Tsan, Lee, Jyh-Hong, Wang, Li-Chieh, Yu, Hsin-Hui, Lin, Hao-Pai, Lin, Hsin-Chia, Li, Pei-Yi
Published in Evidence-based complementary and alternative medicine (01.01.2017)
Published in Evidence-based complementary and alternative medicine (01.01.2017)
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Journal Article
Learning to Optimize Molecular Geometries Using Reinforcement Learning
Ahuja, Kabir, Green, William H, Li, Yi-Pei
Published in Journal of chemical theory and computation (09.02.2021)
Published in Journal of chemical theory and computation (09.02.2021)
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Journal Article
Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry
Li, Yi-Pei, Han, Kehang, Grambow, Colin A, Green, William H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2019)
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