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CORC

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Mechanistic Insights into Selective CO2 Conversion via RWGS on Transition Metal Phosphides: A DFT Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 37, 页码: 22918-22931
作者:  Guharoy, Utsab;  Reina, Tomas Ramirez;  Gu, Sai;  Cai, Qiong
收藏  |  浏览/下载：51/0  |  提交时间：2019/12/02
A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
作者:  Qi, Yutai;  Lu, Meiheng;  Wang, Yi;  Tang, Zhe;  Gao, Ziqing
收藏  |  浏览/下载：103/0  |  提交时间：2019/12/02
Substitution Dependent Ultrafast Ultraviolet Energy Dissipation Mechanisms of Plant Sunscreens 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 17, 页码: 5244-5249
作者:  Zhao, Xi;  Luo, Jian;  Liu, Yan;  Pandey, Pramod;  Yang, Songqiu
收藏  |  浏览/下载：52/0  |  提交时间：2019/12/02
Carbon Monoxide Activation on Cobalt Carbide for Fischer-Tropsch Synthesis from First-Principles Theory 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 期号: 9, 页码: 8093-8103
作者:  Chen, Pei-Pei;  Liu, Jin-Xun;  Li, Wei-Xue
收藏  |  浏览/下载：87/0  |  提交时间：2019/12/02
Catalytic ozonation of three isomeric cresols in the presence of NaCl with nano-mesoporous beta-molecular sieves 期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2019, 卷号: 129, 页码: 63-73
作者:  Yu Li;  Han Peiwei;  Jin Haibo;  Wei Huangzhao;  Liu Weijun
收藏  |  浏览/下载：58/0  |  提交时间：2019/12/02
Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
作者:  Chen, Yunpeng;  Yang, Yunfan;  Zhao, Yu;  Liu, Shixing;  Li, Yongqing
收藏  |  浏览/下载：58/0  |  提交时间：2019/12/02
Microenvironment Engineering of Ruthenium Nanoparticles Incorporated into Silica Nanoreactors for Enhanced Hydrogenations 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2019, 页码: 7
作者:  Ren, Xiaomin;  Guo, Miao;  Li, He;  Li, Chengbin;  Yu, Liang
收藏  |  浏览/下载：51/0  |  提交时间：2019/12/02
A time-dependent density functional theory study on the excited state behavior of a novel T-2(OH)B molecule 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:  Jia, Min;  Song, Xiaoyan;  Yang, Xiaohui;  Yang, Dapeng
收藏  |  浏览/下载：56/0  |  提交时间：2019/12/02
Single Ru Sites-Embedded Rutile TiO2 Catalyst for Non-Oxidative Direct Conversion of Methane: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 23, 页码: 14391-14397
作者:  Ma, Xiufang;  Sun, Keju;  Liu, Jin-Xun;  Li, Wei-Xue;  Cai, Xingmin
收藏  |  浏览/下载：49/0  |  提交时间：2019/12/02
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：45/0  |  提交时间：2019/07/26

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