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CORC

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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong
收藏  |  浏览/下载：0/0  |  提交时间：2024/05/27
Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2024, 卷号: 285, 页码: 12
作者:  Zhu, Bojin;  Li, Zhen;  Han, Tiankun;  Yan, Youguo;  Li, Jiawei
收藏  |  浏览/下载：4/0  |  提交时间：2024/04/07
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
收藏  |  浏览/下载：3/0  |  提交时间：2024/02/05
Study on Vibrational Spectra of Cypermethrin Based on Density Functional Theory 期刊论文
SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 卷号: 43, 期号: 5, 页码: 1381-1386
作者:  Liang Xiao-rui;  Cong Jing-xian;  Li Yin;  Liu Jie;  Jin Liang-jie
收藏  |  浏览/下载：0/0  |  提交时间：2024/01/26
Improving the lubrication of WSNb nanocomposite coatings by the in-situ oxygen shielding effect at elevated temperatures: A combined study with density functional theory simulations 期刊论文
PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART J-JOURNAL OF ENGINEERING TRIBOLOG, 2023, 卷号: 237, 期号: 5, 页码: 1181-1196
作者:  Zhu Jianing;  Zeng Qunfeng;  Zhang Bin
收藏  |  浏览/下载：0/0  |  提交时间：2023/12/07
基于密度泛函理论的氯氰菊酯振动光谱研究 期刊论文
光谱学与光谱分析, 2023, 卷号: 43, 期号: 5, 页码: 1381-1386
作者:  梁小蕊;  丛静娴;  李荫;  刘洁;  金靓婕
收藏  |  浏览/下载：0/0  |  提交时间：2024/01/26
A spectroscopic approach to identifying the out-of-plane conformations of Ni(II) meso-tetraphenylporphyrin in solution 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2022, 卷号: 1269
作者:  Wang, Shenhao;  Huang, Qing
收藏  |  浏览/下载：16/0  |  提交时间：2022/12/23
Experiment-theory hybrid method for studying the formation mechanism of atmospheric new particle formation 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24
作者:  Liu, Yi-Rong;  Jiang, Shuai;  Huang, Teng;  Zhang, Fan
收藏  |  浏览/下载：17/0  |  提交时间：2022/12/23
Metric-Based Assessment Method for MS-T Formalism with Small Subsets of Torsional Conformers 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 44, 2022, 卷号: 126, 页码: 8305-8314
作者:  Chi, Yicheng;  Meng, Qinghui;  He, Chengming;  Zhang, Peng
收藏  |  浏览/下载：10/0  |  提交时间：2023/02/13
Temperature-dependent Raman spectra of KTaO3 crystal and melt along with its phonon and electronic properties 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 365
作者:  Wang, Jian;  You, Jing L.;  Wang, Xu P.;  Wang, Min;  Zhang, Qing L.
收藏  |  浏览/下载：17/0  |  提交时间：2022/12/23

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