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The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 11, 页码: 1807-1815
作者:  Li, Changming;  Guo, Wei;  Zhou, Panwang;  Tang, Zhe
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
Mechanistic studies on the dibenzofuran and dibenzo‑p‑dioxin formation reactions from anthracene 期刊论文
Science of the Total Environment, 2019, 卷号: 662, 页码: 41-47
作者:  Zhang, Ruiming;  Zhuang, Tao;  Zhang, Qingzhu;  Wang, Wenxing
收藏  |  浏览/下载：19/0  |  提交时间：2019/12/11
Quantum Chemical and Kinetic Study on Radical/Molecule Formation Mechanism of Pre-Intermediates for PCTA/PT/DT/DFs from 2-Chlorothiophenol and 2-Chlorophenol Precursors 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 7
作者:  Zuo, Chenpeng;  Wang, Hetong;  Pan, Wenxiao;  Zheng, Siyuan;  Xu, Fei
收藏  |  浏览/下载：31/0  |  提交时间：2019/12/11
Understanding the boosted sodium storage behavior of a nanoporous bismuth-nickel anode using operando X-ray diffraction and density functional theory calculations 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 22, 页码: 13602-13613
作者:  Gao, Hui;  Song, Lin;  Niu, Jiazheng;  Zhang, Chi;  Kou, Tianyi
收藏  |  浏览/下载：14/0  |  提交时间：2019/12/11
In-depth probe of researching interfacial charge transfer process for organic solar cells: A promising bisadduct fullerene derivatives acceptor 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 15
作者:  Li, Ming-Yang;  Yin, Hang;  Sui, Ming-Yue;  Wang, Fei;  Liu, Yan-Hui
收藏  |  浏览/下载：107/0  |  提交时间：2019/12/11
Lateral scaling and positioning effects of top-gate electrodes on single-molecule field-effect transistors 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 28
作者:  Xu, Yuqing;  Wang, Meishan;  Fang, Changfeng;  Cui, Bin;  Ji, Guomin
收藏  |  浏览/下载：23/0  |  提交时间：2019/12/11
DFT study of fructose dehydration to 5-hydroxymethylfurfural catalyzed by imidazolium-based ionic liquid 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 723, 页码: 175-181
作者:  Li, Jingjing;  Yang, Yiying;  Zhang, Dongju
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/11
DFT study of CO2 adsorption across a CaO/Ca12Al14O33 sorbent in the presence of H2O under calcium looping conditions 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 370, 页码: 10-18
作者:  Ma, Xiaotong;  Li, Yingjie;  Zhang, Wan;  Wang, Zeyan;  Zhao, Jianli
收藏  |  浏览/下载：120/0  |  提交时间：2019/12/11
Density functional theory analysis for the limitations of fluoranthene-fused imide based small molecule acceptor materials in photovoltaic performance 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2019, 卷号: 1156, 页码: 37-42
作者:  Wu, Li-Na;  Yin, Hang;  Li, Ming-Yang;  Sun, Guang-Yan;  Jin, Guang-De
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
Theoretical study of the oxidation of formic acid on a PtPd(111) surface 期刊论文
PROGRESS IN REACTION KINETICS AND MECHANISM, 2019, 卷号: 44, 期号: 1, 页码: 67-73
作者:  Wang, Ying-Ying
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/11

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