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CORC

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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
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
On the association of frustrated Lewis pairs in ionic liquids: a molecular dynamics simulation study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 8
作者:  Liu, Xiaoqing;  Wang, Xiaojing;  Li, Yao;  Yu, Tianhao;  Zhao, Weizhen
收藏  |  浏览/下载：9/0  |  提交时间：2021/08/31
Capturing the Electron-Phonon Renormalization in Molecules from First-Principles 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 12, 页码: 2682-2689
作者:  Shang, Honghui;  Yang, Jinlong
收藏  |  浏览/下载：16/0  |  提交时间：2021/12/01
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：21/0  |  提交时间：2021/03/29
Efficient synthesis of bio-derived polycarbonates from dimethyl carbonate and isosorbide: regulatingexo-OH andendo-OH reactivity by ionic liquids 期刊论文
GREEN CHEMISTRY, 2020, 卷号: 22, 期号: 16, 页码: 5357-5368
作者:  Qian, Wei;  Ma, Xifei;  Liu, Lei;  Deng, Lili;  Su, Qian
收藏  |  浏览/下载：8/0  |  提交时间：2020/10/30
Tailoring of the core structure towards promising small molecule hole-transporting materials for perovskite solar cells: a theoretical study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 28, 页码: 16359-16367
作者:  Sun, Zhu-Zhu;  Ding, Wei-Lu;  Feng, Shuai;  Peng, Xing-Liang
收藏  |  浏览/下载：8/0  |  提交时间：2020/09/22

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