Zobrazeno 1 - 10
of 95
pro vyhledávání: '"Cao, Fenglei"'
Autor:
Liu, Weiqi, Ai, Xi, Zhou, Zhijian, Qu, Chao, An, Junyi, Zhou, Zhipeng, Cheng, Yuan, Xu, Yinghui, Cao, Fenglei, Qi, Alan
Artificial intelligence is revolutionizing computational chemistry, bringing unprecedented innovation and efficiency to the field. To further advance research and expedite progress, we introduce the Quantum Open Organic Molecular (QO2Mol) database --
Externí odkaz:
http://arxiv.org/abs/2410.19316
Autor:
Liu, Ce, Wang, Jun, Cai, Zhiqiang, Wang, Yingxu, Kuang, Huizhen, Cheng, Kaihui, Zhang, Liwei, Su, Qingkun, Tang, Yining, Cao, Fenglei, Han, Limei, Zhu, Siyu, Qi, Yuan
Despite significant progress in static protein structure collection and prediction, the dynamic behavior of proteins, one of their most vital characteristics, has been largely overlooked in prior research. This oversight can be attributed to the limi
Externí odkaz:
http://arxiv.org/abs/2408.12413
Autor:
Cao, Fenglei, Gu, Yunfei, Wang, Dianlong, Wang, Liwei, Liu, Ying, Chen, Shaohui, Tian, Changjiang, Liang, Zhimin, Narayanaswamy, Balaji
Publikováno v:
In Materials Characterization November 2024 217
Akademický článek
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Publikováno v:
Chem. Phys. Lett. 512, 81 (2011)
Metallocenes can be encapsulated inside the carbon nanotubes. The structural, energetic and electronic properties of organometallic MCp2@SWCNT are obtained from DFT method. We verify that such encapsulation is noncovalent functionalization, and exami
Externí odkaz:
http://arxiv.org/abs/1109.3109
Publikováno v:
In Fluid Phase Equilibria 25 November 2017 452:58-68
Publikováno v:
In Nano Energy October 2017 40:481-486
Publikováno v:
In Journal of Hazardous Materials 5 January 2017 321:464-472
Autor:
Xue, Bai, Yang, Qingyi, Zhang, Qiaochu, Wan, Xiao, Fang, Dong, Lin, Xiaolu, Sun, Guangxu, Gobbo, Gianpaolo, Cao, Fenglei, Mathiowetz, Alan M., Burke, Benjamin J., Kumpf, Robert A., Rai, Brajesh K., Wood, Geoffrey P. F., Pickard IV, Frank C., Wang, Junmei, Zhang, Peiyu, Ma, Jian, Jiang, Yide Alan, Wen, Shuhao
Publikováno v:
Journal of Chemical Theory & Computation; 1/23/2024, Vol. 20 Issue 2, p799-818, 20p
Autor:
Zhao, Bin, Fang, Fang, Sun, Dalin, Zhang, Qingan, Wei, Shiqiang, Cao, Fenglei, Sun, Huai, Ouyang, Liuzhang, Zhu, Min
Publikováno v:
In Journal of Solid State Chemistry August 2012 192:210-214