Nature of halogen bonding involving π-systems, nitroxide radicals and carbenes: a highlight of the importance of charge transfer von Ang, Shi Jun, Mak, Adrian M, Wong, Ming Wah

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Dynamics of the fcc-to-bcc phase transition in single-crystalline PdCu alloy nanoparticles von Jiang, Yingying, Duchamp, Martial, Ang, Shi Jun, Yan, Hongwei, Tan, Teck Leong, Mirsaidov, Utkur

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Modeling halogen bonding with planewave density functional theory: Accuracy and challenges von Ang, Shi Jun, Ser, Cher Tian, Wong, Ming Wah

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Enhancing the photocatalytic upcycling of polystyrene to benzoic acid: a combined computational-experimental approach for acridinium catalyst design von Ong, Albert, Wong, Zi Cheng, Chin, Kang Le Osmund, Loh, Wei Wei, Chua, Ming Hui, Ang, Shi Jun, Lim, Jason Y. C

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Pyrrolo[3,4-]pyridine-1,2-dione: a new electron acceptor for electrochromic conjugated polymers von Vo, Tung Phuc, Chua, Ming Hui, Ang, Shi Jun, Chin, Kang Le Osmund, Soo, Xiang Yun Debbie, Png, Zhuang Mao, Tam, Teck Lip Dexter, Zhu, Qiang, Procter, David John, Xu, Jianwei

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Site specificity of halogen bonding involving aromatic acceptors von Ang, Shi Jun, Mak, Adrian M, Sullivan, Michael B, Wong, Ming Wah

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67 million natural product-like compound database generated via molecular language processing von Tay, Dillon W. P., Yeo, Naythan Z. X., Adaikkappan, Krishnan, Lim, Yee Hwee, Ang, Shi Jun

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Active learning accelerates ab initio molecular dynamics on reactive energy surfaces von Ang, Shi Jun, Wang, Wujie, Schwalbe-Koda, Daniel, Axelrod, Simon, Gómez-Bombarelli, Rafael

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Site specificity of halogen bonding involving aromatic acceptorsElectronic supplementary information (ESI) available: Computational details, CSD search results, additional frontier... von Ang, Shi Jun, Mak, Adrian M, Sullivan, Michael B, Wong, Ming Wah

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Composite machine learning strategy for natural products taxonomical classification and structural insights von Xu, Qisong, Tan, Alan K. X., Guo, Liangfeng, Lim, Yee Hwee, Tay, Dillon W. P., Ang, Shi Jun

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Does Halogen Bonding Promote Intersystem Crossing and Phosphorescence in Benzaldehyde? von Ang, Shi Jun, Chwee, Tsz Sian, Wong, Ming Wah

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Aggregation Induced Emission (AIE)‐Active Poly(acrylates) for Electrofluorochromic Detection of Nitroaromatic Compounds von Chua, Ming Hui, Chin, Kang Le Osmund, Ang, Shi Jun, Soo, Xiang Yun Debbie, Png, Zhuang Mao, Zhu, Qiang, Xu, Jianwei

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coconut_rnn_model von Tay, Dillon, Yeo, Naythan, Adaikkappan, Krishnan, Lim, Yee Hwee, Ang, Shi Jun

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coconut_smiles_nostereo_heldout20 von Tay, Dillon, Yeo, Naythan, Adaikkappan, Krishnan, Lim, Yee Hwee, Ang, Shi Jun

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100million_sampled_smiles von Tay, Dillon, Yeo, Naythan, Adaikkappan, Krishnan, Lim, Yee Hwee, Ang, Shi Jun

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67M_generated_analysed von Tay, Dillon, Yeo, Naythan, Adaikkappan, Krishnan, Lim, Yee Hwee, Ang, Shi Jun

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coconut_smiles_nostereo_training80 von Tay, Dillon, Yeo, Naythan, Adaikkappan, Krishnan, Lim, Yee Hwee, Ang, Shi Jun

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QM datasets for pericyclic reactions von Ang, Shi Jun, Wujie Wang, Schwalbe-Koda, Daniel, Axelrod, Simon, Gomez-Bombarelli, Rafael

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Infusions of recipient-derived cytokine-induced killer cells of donor origin eradicated residual disease in a relapsed leukemia patient after aUo-hematopoietic stem cell transplant... von ZHONG Zhao-dong LUO Yi ZOU Ping ZHENG Jin-e YAO Jun-xia HUANG Shi-ang ZHOU Dong-feng YOU Yong

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Mammalian WTAP is a regulatory subunit of the RNA N6-methyladenosine methyltransferase von Ping, Xiao-Li, Sun, Bao-Fa, Wang, Lu, Xiao, Wen, Yang, Xin, Wang, Wen-Jia, Adhikari, Samir, Shi, Yue, Lv, Ying, Chen, Yu-Sheng, Zhao, Xu, Li, Ang, Yang, Ying, Dahal, Ujwal, Lou, Xiao-Min, Liu, Xi, Huang, Jun, Yuan, Wei-Ping, Zhu, Xiao-Fan, Cheng, Tao, Zhao, Yong-Liang, Wang, Xinquan, Danielsen, Jannie M Rendtlew, Liu, Feng, Yang, Yun-Gui

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