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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 专题：南华大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 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：8/0  |  提交时间：2019/12/27 Theoretical investigation into the coordination of R-/S-asymmetric uranyl-salophens containing six-membered ring lactam with cis−/trans-cyclohexylamines 期刊论文 Applied Organometallic Chemistry, 2018, 卷号: 32, 期号: 7, 页码: - 作者:  Yang, Liang-Liang;  Kong, Xiang-He;  Wu, Zhi-Lin;  Lin, Ying-Wu;  Liao, Li-Fu 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/27 R-/S-asymmetric uranyl–salophens  coordination selectivity  density functional theory  molecular recognition   Preparation and application of a carbon paste electrode modified with multi-walled carbon nanotubes and boron-embedded molecularly imprinted composite membranes 期刊论文 Bioelectrochemistry, 2018, 卷号: 121, 页码: 115-124 作者:  Wang, Hongjuan;  Qian, Duo;  Xiao, Xilin*;  Deng, Chunyan;  Liao, Lifu 收藏  |  浏览/下载：12/0  |  提交时间：2019/12/27 Tinidazole  Density functional theory  Multi-walled carbon nanotubes  Boron-embedded molecular imprinting composite membrane  Electrochemical sensor   “Turn-On”fluorescent chemosensor based on Β-diketone for detecting Th4+ions in Aqueous Solution and application in living cell imaging 期刊论文 Sensors and Actuators, B: Chemical, 2017, 卷号: 253, 期号: Volume 253, 页码: 766-772 作者:  Zheng, Shulin;  Wang, Hongqing*;  Hu, Qinghua;  Wang, Yuyuan;  Hu, Jiangke 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/27 Fluorescent sensor  Thorium ions (Th4+)  beta-diketone  Density functional theory (DFT) calculations  Cell imaging   Theoretical studies on the complexation of Eu(III) and Am(III) with HDEHP: structure, bonding nature and stability 期刊论文 Science China Chemistry, 2016, 卷号: 59, 期号: 3, 页码: 324-331 作者:  Luo Juan;  Wang Congzhi;  Lan Jianhui;  Wu Qunyan;  Zhao Yuliang 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/27 density functional theory  di-(2-ethylhexyl) phosphoric acid  actinide  lanthanide  solvent extraction   Density functional theory investigation of nonsymmetrically substituted uranyl–salophen complexes 期刊论文 Journal of Radioanalytical and Nuclear Chemistry, 2016, 卷号: 307, 期号: 1, 页码: 407-417 作者:  Li, Xiao-Long;  Luo, Juan;  Lin, Ying-Wu;  Liao, Li-Fu;  Nie, Chang-Ming* 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/27 Density functional theory  Uranyl-salophen complex  Spectral property  Molecular orbital  Absolute configuration   Predicting Thermodynamic Properties of PBXTHs with New Quantum Topological Indexes 期刊论文 PLOS ONE, 2016, 卷号: 11, 期号: 2, 页码: e0147126 作者:  Xiao, Fangzhu;  Peng, Guowen*;  Nie, Changming;  Yu, Limei 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/27 Thermodynamics,Molecular structure,Atoms,Enthalpy,Forecasting,Linear regression analysis,Density functional theory,Physicochemical properties   Computational insight into complex structures of thorium coordination with N, N’- bis(3-allyl salicylidene)-o-phenylenediamine 期刊论文 Journal of Molecular Modeling, 2016, 卷号: 22, 期号: 9, 页码: 224- 作者:  Lan, Wenbo;  Gao, Sha;  Lin, Ying-Wu;  Liao, Lifu;  Wang, Xiaofeng 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/27 Crystal structure  Density functional theory  Organic ligands  Thorium   First-Principles Study on Electronic Structures and Optical Properties of Doped Ag Crystal 期刊论文 Chinese Physics Letters, 2012, 卷号: 29, 期号: 3, 页码: 037101-1-037101-3 作者:  Cao Can;  Chen Lingna;  Jia Shuting;  Zhang Dan;  Xu Hui* 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/27 density functional theory  first-principles  MgF_2 codoped with cobalt and phosphorus  electronic structure optical properties