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| | | | | | | | | | | | | | | | | | | | | | | | | Repurposing anthocyanins into potential inhibitors of the SARS-CoV-2 main protease (Mpro): An in silico approach
Glenn Oyong, Joshua Godwin Cuevas, Bryant Kimm Gonzales, Louiejabe Nuniala, and Rene Louis Singson AIP Conference Proceedings 2562, 070001 (2023) Read the article → | | | | | | | | | | | | | | | | | | | | | | | | | Structure and elasticity of model disordered, polydisperse, and defect-free polymer networks
Valerio Sorichetti, Andrea Ninarello, José Ruiz-Franco, Virginie Hugouvieux, Emanuela Zaccarelli, Cristian Micheletti, Walter Kob, and Lorenzo Rovigatti J. Chem. Phys. 158, 074905 (2023) Read the article → |
| | | | | | | | | | | | | | | | | | | | | | | | | Engineering interface upgrade of LiNi0.8Co0.1Mn0.1O2 cells from PYR1(4CN)(2O2)TFSI with cyano and ether groups as dual functional pyrrolidine electrolyte
Chao Qiu, Yun Hong, Yajie Sun, Zhiqiang Li, Wenzhi Huang, Jiajie Pan, Junhao Li, Jie Ren, Wei Zhao, Diancheng Qin, Kaixiang Shi, and Quanbing Liu Appl. Phys. Lett. 122, 081601 (2023) Read the article → |
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| | | | | | Quasi-one-dimensional Mn6Bi5 and its electronic structure
Xiangfei Li, Qingxin Dong, Ying Meng, Luyao Wang, Haoyu Zhuang, Qinwen Guo, Junkai Yang, Yu Ji, Xi Shen, Yuan Yao, Genfu Chen, and Richeng Yu Appl. Phys. Lett. 122, 083102 (2023) Read the article → |
| | | | | | | | | Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms
Mark R. Pederson, Alexander I. Johnson, Kushantha P. K. Withanage, Sherab Dolma, Gustavo Bravo Flores, Zahra Hooshmand, Kusal Khandal, Peter O. Lasode, Tunna Baruah, and Koblar A. Jackson J. Chem. Phys. 158, 084101 (2023) Read the article → |
| | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | Geometric, electronic and transport properties of bulged graphene: A theoretical study
Faling Ling, Rui Liao, Chao Yuan, Xiaowen Shi, Li Li, Xianju Zhou, Xiao Tang, Chuan Jing, Yongjie Wang, and Sha Jiang J. Chem. Phys. 158, 084702 (2023) Read the article → |
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