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CORC

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Density functional theory calculations of nitrogen and oxygen equilibrium isotope fractionations in NO3--NO2--H2O aqueous system reveal inverse kinetic isotope effects during nitrite oxidation 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
作者:  He, Yuyang;  Li, Long
收藏  |  浏览/下载：21/0  |  提交时间：2022/07/18
Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 293, 页码: 224-239
作者:  He YY(何雨旸);  Zhang, Yining;  Zhang, Siting;  Liu, Yun
收藏  |  浏览/下载：31/0  |  提交时间：2021/03/03
Predicting equilibrium intramolecular isotope distribution within a large organic molecule by the cutoff calculation 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2020, 卷号: 269, 页码: 292-302
作者:  He YY(何雨旸);  Bao HM;  Liu Y
收藏  |  浏览/下载：52/0  |  提交时间：2020/03/11
H-1 NMR characterization of chitin tetrasaccharide in binary H2O:DMSO solution: Evidence for anomeric end-effect propagation 期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2019, 卷号: 129, 页码: 744-749
作者:  Li, Kecheng;  Green, Andrew R.;  Dinges, Meredith M.;  Larive, Cynthia K.
收藏  |  浏览/下载：51/0  |  提交时间：2019/08/28
The nature of salt effect in enhancing the extraction of rare earths by non-functional ionic liquids: Synergism of salt anion complexation and Hofmeister bias 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2019, 卷号: 539, 页码: 214-222
作者:  Sun, Pan;  Huang, Kun;  Liu, Huizhou
收藏  |  浏览/下载：55/0  |  提交时间：2019/04/03
TDDFT investigation on the solvent effect of methanol on the electronic structure and luminescence of metal organic framework CdL2 期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 70-74
作者:  Deng, Tianyu;  Hong, Pan;  Hao, Ce;  Fu, Yao
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/02
Computer-aided reaction solvent design based on transition state theory and COSMO-SAC 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 202, 页码: 300-317
作者:  Liu, Qilei;  Zhang, Lei;  Liu, Linlin;  Du, Jian;  Meng, Qingwei
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/02
A reaction-based turn-on fluorescent sensor for the detection of Cu (II) with excellent sensitivity and selectivity: Synthesis, DFT calculations, kinetics and application in real water samples 期刊论文
DYES AND PIGMENTS, 2019, 卷号: 165
作者:  Tian, Ming;  He, Huan;  Wang, Bei-Bei;  Wang, Xi;  Liu, Yi
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/05
A combined experimental and density functional theory investigation of the hydrogen bonding of 2-cyclohexen-1-one and 3-methyl-2-cyclohexen-1-one in solvents 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: Vol.208, 页码: 32-39
作者:  Zhou, Hai Qiang;  Li, Lei;  Zhao, Yanying;  Wang, Hui Gang;  Zheng, Xuming
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17
Asymmetric one-pot synthesis of five- and six-membered lactones via dynamic covalent kinetic resolution: Exploring the regio- and stereoselectivities of lipase 期刊论文
TETRAHEDRON LETTERS, 2019, 卷号: 60, 期号: 12, 页码: 868-871
作者:  Xu, Jintao[1];  Hu, Lei[2]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/24

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