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A symmetry-orientated divide-and-conquer method for crystal structure prediction
Shao, Xuecheng, Lv, Jian, Liu, Peng, Shao, Sen, Gao, Pengyue, Liu, Hanyu, Wang, Yanchao, Ma, Yanming
Published in The Journal of chemical physics (07.01.2022)
Published in The Journal of chemical physics (07.01.2022)
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Journal Article
De novo Crystal Structure Determination of L-Alaninamide HCl by Quadrupolar NMR Crystallography Guided Crystal Structure Prediction (QNMRX-CSP)
Fleischer, Carl H., Holmes, Sean T., Lin, Xinsong, Schurko, Robert W.
Published in Solid state nuclear magnetic resonance (01.08.2025)
Published in Solid state nuclear magnetic resonance (01.08.2025)
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Journal Article
Stabilization of S3O4 at high pressure: implications for the sulfur-excess paradox
Liu, Siyu, Gao, Pengyue, Hermann, Andreas, Yang, Guochun, Lü, Jian, Ma, Yanming, Mao, Ho-Kwang, Wang, Yanchao
Published in Science bulletin (Beijing) (15.05.2022)
Published in Science bulletin (Beijing) (15.05.2022)
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Journal Article
A Symmetry-orientated Divide-and-Conquer Method for Crystal Structure Prediction
Shao, Xuecheng, Lv, Jian, Liu, Peng, Sen, Shao, Gao, Pengyue, Liu, Hanyu, Wang, Yanchao, Ma, Yanming
Published in arXiv.org (05.01.2022)
Published in arXiv.org (05.01.2022)
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Paper
Journal Article
実験と計算によるイルソグラジン—マレイン酸の結晶構造の予測
古石, 誉之, 岡本, 有史, 坂田, 千夏, 福澤, 薫, 米持, 悦生, 梅田, 大貴
Published in Journal of Computer Chemistry, Japan (2019)
Published in Journal of Computer Chemistry, Japan (2019)
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Journal Article
Observation of Iron with Eight Coordination in Iron Trifluoride under High Pressure
Lu, Wencheng, Liu, Siyu, Zhou, Mi, Wang, Hongbo, Liu, Guangtao, Liu, Hanyu, Ma, Yanming
Published in Angewandte Chemie International Edition (15.04.2024)
Published in Angewandte Chemie International Edition (15.04.2024)
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Journal Article
Observation of Iron with Eight Coordination in Iron Trifluoride under High Pressure
Lu, Wencheng, Liu, Siyu, Zhou, Mi, Wang, Hongbo, Liu, Guangtao, Liu, Hanyu, Ma, Yanming
Published in Angewandte Chemie (15.04.2024)
Published in Angewandte Chemie (15.04.2024)
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Journal Article
Computational Screening of Chiral Organic Semiconductors: Exploring Side-Group Functionalization and Assembly to Optimize Charge Transport
Schmidt, Julia A, Weatherby, Joseph A, Sugden, Isaac J, Santana-Bonilla, Alejandro, Salerno, Francesco, Fuchter, Matthew J, Johnson, Erin R, Nelson, Jenny, Jelfs, Kim E
Published in Crystal growth & design (01.09.2021)
Published in Crystal growth & design (01.09.2021)
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Journal Article
LAX phases: A family of novel stable layered materials, informatics‐based discovery
Alibagheri, Ehsan, Khazaei, Mohammad, Estili, Mehdi, Seyfi, Alireza, Mizoguchi, Hiroshi, Ohno, Kaoru, Hosono, Hideo, Vaez Allaei, S. Mehdi
Published in InfoMat (01.07.2025)
Published in InfoMat (01.07.2025)
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Journal Article
The scientific impact of the Cambridge Structural Database: a citation-based study
Wong, Ruth, Allen, Frank H., Willett, Peter
Published in Journal of applied crystallography (01.08.2010)
Published in Journal of applied crystallography (01.08.2010)
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Journal Article