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Theoretical and Computational Chemistry

Working Paper

On-the-fly Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Deping Hu, Yu Xie, Jiawei Peng, Zhenggang Lan

Version 2 posted 15 April 2021

630

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Theoretical and Computational Chemistry

Working Paper

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

Jiawei Peng, Yu Xie, Deping Hu, Zhenggang Lan

Version 1 posted 07 December 2020

267

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Biological and Medicinal Chemistry

Working Paper

Deferasirox (ExJade): A Fluorescent Pro-Chelator Active Against Antibiotic Resistant Bacteria

Adam Sedgwick, Kai-Cheng Yan, Daniel N. Mangel, Ying Shang, Axel Steinbrueck, Hai-Hao Han, James T. Brewster, Xi-Le Hu, Dylan W. Snelson, Vincent M. Lynch, He Tian, Xiao-Peng He, Jonathan L. Sessler

Version 1 posted 30 March 2020

686

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1

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Physical Chemistry

Working Paper

Topological Excitation of Singly Hydrated Hydroxide Complex in Confined Sub-Nanospace for Bright Color Emission and Heterogeneous Catalysis

Xiao-Dan Hu, Taiqun Yang, Bingqian Shan, Bo Peng, Kun Zhang

Version 1 posted 19 October 2020

469

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5

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Analytical Chemistry

Working Paper

Feature-Based Molecular Networking Analysis of the Metabolites Produced by in vitro Solid-State Fermentation Reveals Pathways for the Bioconversion of Epigallocatechin Gallate

Hao-Fen Xie, Ya-Shuai Kong, Ru-Ze Li, Louis-Felix Nothias, Alexey V. Melnik, Hong Zhang, Lu-Lu Liu, Ting-Ting An, Rui Liu, Zi Yang, Jia-Ping Ke, Peng Zhang, Guan-Hu Bao, Zhong-Wen Xie, Da-Xiang Li, Xiaochun Wan, Qian-Ying Dai, Liang Zhang, Ming Zhao, Mao-Qiang An, Yan-Hua Long, Tie-Jun Ling

Version 4 posted 13 May 2020

2,501

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Materials Science

Working Paper

Bioinspired Simultaneous Changes in Fluorescence Color, Brightness and Shape of Hydrogels Enabled by AIEgens

Zhao Li, Xiaofan Ji, Junyi Gong, Yubing Hu, Wenjie Wu, Xinnan Wang, Hui-Qing Peng, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, Ben Zhong Tang

Version 1 posted 23 September 2019

1,052

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Inorganic Chemistry

Working Paper

New theoretical insight into high coordination number complexes in actinides-centered borane

Shuxian Hu, Peng Zhang, wenli zou, ping zhang

Version 2 posted 16 March 2020

1,429

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Materials Chemistry

Working Paper

Multiselective gridization achieved by electrophilic C-X activation of dual halogen bonding cooperation

Linghai Xie, Ying Wei, Chunxiao Zhong, Qian Peng, Qiujing Bao, Dongqing Lin, Xinzhe Peng, Hongjian Wang, Xinming Hu, He Zhang, Xue Du, Bin Sun, Kang Xiao, Wei HUANG

Version 1 posted 02 August 2022

294

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Theoretical and Computational Chemistry

Working Paper

The Spectral Fingerprint of Excited-State Energy Transfer in Dendrimers through Polarization-Sensitive Transient-Absorption Pump-Probe Signals: On-the-Fly Nonadiabatic Dynamics Simulations

Deping Hu, Jiawei Peng, Lipeng Chen, Maxim Gelin, Zhenggang Lan

Version 1 posted 12 August 2021

288

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Catalysis

Working Paper

Grain-boundary-rich Pt nanoparticle assembly for catalytic hydrogen sensing at room temperature

LONG LUO, Xin Geng, Shuwei Li, Jaeyoung Heo, Yi Peng, Wenhui Hu, Yanchao Liu, Jier Huang, Yang Ren, Dongsheng Li, Liang Zhang

Version 1 posted 16 December 2021

484

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1

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Refine Search

23 results in Peng Hu in Authors: Peng Hu

On-the-fly Symmetrical Quasi-classical Dynamics with Meyer-Miller Mapping Hamiltonian for the Treatment of Nonadiabatic Dynamics at Conical Intersections

Analysis of the Bath Motion in the MM-SQC Dynamics Using Unsupervised Machine Learning Dimensionality Reduction Approaches: Principal Component Analysis

Deferasirox (ExJade): A Fluorescent Pro-Chelator Active Against Antibiotic Resistant Bacteria

Topological Excitation of Singly Hydrated Hydroxide Complex in Confined Sub-Nanospace for Bright Color Emission and Heterogeneous Catalysis

Feature-Based Molecular Networking Analysis of the Metabolites Produced by in vitro Solid-State Fermentation Reveals Pathways for the Bioconversion of Epigallocatechin Gallate

Bioinspired Simultaneous Changes in Fluorescence Color, Brightness and Shape of Hydrogels Enabled by AIEgens

New theoretical insight into high coordination number complexes in actinides-centered borane

Multiselective gridization achieved by electrophilic C-X activation of dual halogen bonding cooperation

The Spectral Fingerprint of Excited-State Energy Transfer in Dendrimers through Polarization-Sensitive Transient-Absorption Pump-Probe Signals: On-the-Fly Nonadiabatic Dynamics Simulations

Grain-boundary-rich Pt nanoparticle assembly for catalytic hydrogen sensing at room temperature

23 results in Authors: Peng Hu