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	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：2/0 \| 提交时间：2024/04/07 Asphaltene dispersibility Crude oil viscosity Molecular dynamics simulation Density function theory calculation
	Selenium-doped Se-CoSe2@ZnSe heterojunction structure derived from ZIF-8 metal organic skeleton is used in high-performance asymmetric supercapacitors 期刊论文 Journal of Alloys and Compounds, 2022, 卷号: 927 作者: Li, Ling; Wei, Zhiqiang; Liu, Weizhe; Ding, Meijie; Li, Zhiming 收藏 \| 浏览/下载：23/0 \| 提交时间：2022/09/22 Electrochemical electrodes Heterojunctions II-VI semiconductors Metal ions Metal-Organic Frameworks Metals Nanospheres Selenium Selenium compounds Asymmetric supercapacitor Density function theory Heterogeneous structures Heterojunction structures Metalorganic frameworks (MOFs) Metalorganics Performance Selenia doped Selenia vacancy Selenization
	Exploring the effects of temperature-driven phase transition on supercapacitive performance of cobalt diselenide 期刊论文 JOURNAL OF POWER SOURCES, 2022, 卷号: 541 作者: Li, Mingjie; Liu, Weizhe; Ju, Jiaming; Xie, Lixiang; Chen, Yuhong 收藏 \| 浏览/下载：21/0 \| 提交时间：2022/07/19 Cobalt diselenide Phase transition Supercapacitor Density function theory
	Charge fluctuation of simple substances in 3-dimensional lattices 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2022, 卷号: 1212 作者: Yang, Yu-Tong; Xue, Hong-Tao; Tang, Fu-Ling; Yao, Xiao-Jun 收藏 \| 浏览/下载：11/0 \| 提交时间：2022/06/21 Simple substances Allotrope Charge distribution Oxidation number Density function theory
	On the Investigation of Effective Factors on Electronic Structure Properties of Transition Metal Complexes: Robust Modeling Using GPR Approach 期刊论文 International Journal of Chemical Engineering, 2022, 卷号: 2022 作者: Wang, Jianjun; Molla Jafari, Mohammad Mahdi 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/04/21 Chemical bonds Computation theory Density functional theory Electronic structure Inorganic compounds Spin dynamics Transition metal compounds Transition metals Density functional theory simulations Electronic.structure Gaussian process regression High-throughput Inorganics Kernel function Robust modeling Spin state Structure property Transition-metal complex
	Inhomogeneous charge distribution of simple substances 期刊论文 INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2021, 卷号: 35, 期号: 10 作者: Wei, Cheng-Dong; Li, Wen-Xiang; Ye, Wen-Hai; Tang, Fu-Ling; Xue, Hong-Tao 收藏 \| 浏览/下载：2/0 \| 提交时间：2021/10/14 Simple substances charge distribution oxidation states density function theory
	Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11 作者: Shang, Honghui; Liang, WanZhen; Zhang, Yunquan; Yang, Jinlong 收藏 \| 浏览/下载：147/0 \| 提交时间：2021/12/01 Density-functional perturbation theory Linear scaling MPI Numeric atomic orbitals Density-function theory
	The improvement of Bootstrap method and its application in structure parameter uncertainty quantification and propagation 期刊论文 Zhendong Gongcheng Xuebao/Journal of Vibration Engineering, 2020, 卷号: 33, 期号: 4, 页码: 679-687 作者: Luo, Yong-Peng; Liu, Jing-Liang; Han, Jian-Ping; Lu, Si-Ping; Huang, Fang-Lin 收藏 \| 浏览/下载：7/0 \| 提交时间：2020/11/14 Cable stayed bridges Data flow analysis Density functional theory Distribution functions Population statistics Probability density function Distribution characteristics Dynamic characteristics Empirical distribution functions Response surface modeling Sensitivity indices Structure parameter Uncertain parameters Uncertainty parameters
	The improvement of Bootstrap method and its application in structure parameter uncertainty quantification and propagation 期刊论文 Zhendong Gongcheng Xuebao/Journal of Vibration Engineering, 2020, 卷号: 33, 期号: 4, 页码: 679-687 作者: Luo, Yong-Peng; Liu, Jing-Liang; Han, Jian-Ping; Lu, Si-Ping; Huang, Fang-Lin 收藏 \| 浏览/下载：6/0 \| 提交时间：2022/02/17 Cable stayed bridges Data flow analysis Density functional theory Distribution functions Population statistics Probability density function Distribution characteristics Dynamic characteristics Empirical distribution functions Response surface modeling Sensitivity indices Structure parameter Uncertain parameters Uncertainty parameters
	Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton 期刊论文 DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 13, 页码: 4093-4099 作者: Wang, Cui; Wu, Qun-Yan; Wang, Cong-Zhi; Lan, Jian-Hui; Nie, Chang-Ming 收藏 \| 浏览/下载：68/0 \| 提交时间：2020/12/16 SEGMENTED CONTRACTION SCHEME DENSITY-FUNCTIONAL THEORY MINOR ACTINIDES AM(III)/EU(III) SELECTIVITY EXTRACTION SEPARATION WAVE-FUNCTION F-ELEMENTS COMPLEXATION ENERGY DESIGN

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