Accurate estimation of the photoelectric conversion efficiency of a series of anthracene-based organic dyes for dye-sensitized solar cells
Heng, Panpan, Mao, Lemin, Guo, Xugeng, Wang, Li, Zhang, Jinglai
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2020)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2020)
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Journal Article
Computational Investigations on Reaction Mechanisms of the Covalent Inhibitors Ponatinib and Analogs Targeting the Extracellular Signal-Regulated Kinases
Tian, Yafeng, Zhang, Mi, Heng, Panpan, Hou, Hua, Wang, Baoshan
Published in International journal of molecular sciences (01.10.2023)
Published in International journal of molecular sciences (01.10.2023)
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Journal Article
Comparative study on the unimolecular decompositions of energetic regioisomers: BFTF-1 and BFTF-2
Li, Jianxin, Heng, Panpan, Wang, Baoshan, Wang, Bozhou, Liu, Ning, Wang, Xiaocong
Published in FirePhysChem (Online) (01.12.2023)
Published in FirePhysChem (Online) (01.12.2023)
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Journal Article
Initial unimolecular decomposition of 3,4-bis(3-fluorodinitromethylfuroxan-4-yl) furoxan from quantum mechanics and ReaxFF molecular dynamics simulation
Li, Jianxin, Heng, Panpan, Wang, Baoshan, Wang, Bozhou, Liu, Ning, Wang, Xiaocong
Published in FirePhysChem (Online) (01.06.2023)
Published in FirePhysChem (Online) (01.06.2023)
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Journal Article
Rational Design of Phenothiazine-Based Organic Dyes for Dye-Sensitized Solar Cells: The Influence of π‑Spacers and Intermolecular Aggregation on Their Photovoltaic Performances
Mao, Lemin, Wu, Yaxu, Jiang, Jiamin, Guo, Xugeng, Heng, Panpan, Wang, Li, Zhang, Jinglai
Published in Journal of physical chemistry. C (30.04.2020)
Published in Journal of physical chemistry. C (30.04.2020)
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Journal Article
Theoretical Investigation on Atmospheric Chemistry of Nitryl Cyanide: A Novel Fluorine-Free Dielectric Gas
Heng, Panpan, Zhang, Mi, Hou, Hua, Wang, Baoshan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.06.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.06.2023)
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Journal Article
Pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation for identification of potential ERK inhibitors
Tian, Yafeng, Zhang, Mi, Heng, Panpan, Hou, Hua, Wang, Baoshan
Published in Journal of biomolecular structure & dynamics (03.03.2024)
Published in Journal of biomolecular structure & dynamics (03.03.2024)
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Journal Article
Influence of Different Molecular Design Strategies on Photovoltaic Properties of a Series of Triphenylamine-Based Organic Dyes for Dye-Sensitized Solar Cells: Insights from Theoretical Investigations
Heng, Panpan, An, Beibei, Ren, Hehe, Hu, Yuhang, Guo, Xugeng, Mao, Lemin, Wang, Li, Zhang, Jinglai
Published in Journal of physical chemistry. C (16.07.2020)
Published in Journal of physical chemistry. C (16.07.2020)
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Journal Article
Computational Protocol for Precise Prediction of Dye-Sensitized Solar Cell Performance
Zhang, Weiyi, Wang, Li, Mao, Lemin, Jiang, Jiamin, Ren, Hehe, Heng, Panpan, Ågren, Hans, Zhang, Jinglai
Published in Journal of physical chemistry. C (20.02.2020)
Published in Journal of physical chemistry. C (20.02.2020)
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Journal Article
6‑Iodopurine as a Versatile Building Block for RNA Purine Architecture Modifications
Xie, Yalun, Fang, Zhentian, Yang, Wei, He, Zhiyong, Chen, Kun, Heng, Panpan, Wang, Baoshan, Zhou, Xiang
Published in Bioconjugate chemistry (16.02.2022)
Published in Bioconjugate chemistry (16.02.2022)
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Journal Article
Inclusion of aggregation effect to evaluate the performance of organic dyes in dye-sensitized solar cells
Sun, Kenan, Zhang, Weiyi, Heng, Panpan, Wang, Li, Zhang, Jinglai
Published in Applied surface science (01.05.2018)
Published in Applied surface science (01.05.2018)
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Journal Article
Exploring the properties of carbazole-based derivatives as hole transport materials from first principle and MD simulation
Li, Yuanyuan, Zhang, Yue, Heng, Panpan, Shao, Renjie, Liu, Yi, Qiao, Weiwei, Wang, Li, Zhang, Jinglai
Published in Organic electronics (01.03.2018)
Published in Organic electronics (01.03.2018)
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Journal Article
Introducing chenodeoxycholic acid coadsorbent and strong electron-withdrawing group in indoline dyes to design high-performance solar cells: a remarkable theoretical improvement
Mao, Lemin, Dun, Shuopan, Ren, Hehe, Jiang, Jiamin, Guo, Xugeng, Huang, Fuhua, Heng, Panpan, Wang, Li, Zhang, Jinglai, Ågren, Hans
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2021)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2021)
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Journal Article
Star‐Shaped Molecules as Dopant‐Free Hole Transporting Materials for Efficient Perovskite Solar Cells: Multiscale Simulation
Zhang, Yue, Heng, Panpan, Su, Huishuang, Li, Junfeng, Guo, Jia, Ning, Pan, Wu, Wenpeng, Ren, Tiegang, Wang, Li, Zhang, Jinglai
Published in Chemical record (01.05.2019)
Published in Chemical record (01.05.2019)
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