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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
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
收藏  |  浏览/下载:0/0  |  提交时间:2024/01/08
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
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
收藏  |  浏览/下载:13/0  |  提交时间:2023/02/03
Comparison and theoretical analysis of the photocatalytic performance of Ni2+-Fe3+-CO32−-LDHs and Ni2+-Al3+-CO32−-LDHs 期刊论文
Journal of Molecular Structure, 2022, 卷号: 1262
作者:  Song, Xiaoli;  Pang, Yaming;  Yuan, Yuanyuan;  Fu, Yuxiu;  Gao, Liguo
收藏  |  浏览/下载:20/0  |  提交时间:2022/04/21
DFT Mechanism of Cu Catalyzed Coupling Reaction to Alkyl Aryl Ethers 期刊论文
ACTA CHIMICA SINICA, 2021, 卷号: 79, 期号: 7, 页码: 948-952
作者:  Man, Qingmin;  Fu, Zunyun;  Liu, Tiantian;  Zheng, Mingyue;  Jiang, Hualiang
收藏  |  浏览/下载:20/0  |  提交时间:2021/11/04
Novel insights on the encapsulation mechanism of PLGA terminal groups on ropivacaine 期刊论文
EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS, 2021, 卷号: 160, 页码: 143-151
作者:  Li, Xun;  Wei, Yi;  Wen, Kang;  Han, Qingzhen;  Ogino, Kenji
收藏  |  浏览/下载:27/0  |  提交时间:2021/03/29
Hydrogen bond donor functionalized poly(ionic liquid)s for efficient synergistic conversion of CO2 to cyclic carbonates 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 3, 页码: 2005-2014
作者:  Gou, Haibin;  Ma, Xifei;  Su, Qian;  Liu, Lei;  Ying, Ting
收藏  |  浏览/下载:22/0  |  提交时间:2021/03/29
Molecular design of dibenzo[g,p]chrysene-based hole-transporting materials for perovskite solar cells: A theoretical study 期刊论文
SYNTHETIC METALS, 2021, 卷号: 271, 页码: 10
作者:  Sun, Zhu-Zhu;  Feng, Shuai;  Ding, Wei-Lu;  Peng, Xing-Liang
收藏  |  浏览/下载:17/0  |  提交时间:2021/03/29
Interpreting main features of the differential absorbance spectra of chlorinated natural organic matter: Comparison of the experimental and theoretical spectra of model compounds 期刊论文
WATER RESEARCH, 2020, 卷号: 185, 页码: 1-12
作者:  Chen, Bingya;  Zhang, Chenyang;  Zhao, Yanmei;  Wang, Dongsheng;  Korshin, Gregory, V
收藏  |  浏览/下载:10/0  |  提交时间:2021/09/14


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