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Organic Crystal

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2 results in Keywords: Organic Crystal

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Category: Theoretical and Computational Chemistry

Predicting the excited-state properties of crystalline organic semiconductors using GW+BSE and machine learning

, Authors: Siyu Gao, Yiqun Luo, Xingyu Liu, Noa Marom

Version 1 posted 20 December 2024

77

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Category: Physical Chemistry

Mapping Hydrogen Positions along the Proton Transfer Pathway in an Organic Crystal by Computational X-ray Spectra

, Authors: Guoyan Ge, Jun-Rong Zhang, Sheng-Yu Wang, Minrui Wei, Yongfei Ji, Sai Duan, Kiyoshi Ueda, Weijie Hua

Version 1 posted 01 February 2024

135

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ISSN 2573-2293 (Online) ChemRxiv Archive

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