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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：宁波材料技术与工程研究所    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：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5563-5569 作者:  Liu, Zeyu;  Tian, Ziqi;  Lu, Tian;  Hua, Shugui 收藏  |  浏览/下载：7/0  |  提交时间：2020/12/16 DENSITY-FUNCTIONAL THEORY  ZETA VALENCE QUALITY  GAUSSIAN-BASIS SETS  1ST HYPERPOLARIZABILITY  EXCITATION-ENERGIES  OPTICAL PROPERTIES  APPROXIMATION  ABSORPTION  PARAMETERS  CRYSTAL   Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies 期刊论文 ACS OMEGA, 2020, 卷号: 5, 期号: 7, 页码: 3151-3164 作者:  Dagdag, Omar;  Safi, Zaki;  Qiang, Yujie;  Erramli, Hamid;  Guo, Lei 收藏  |  浏览/下载：64/0  |  提交时间：2020/12/16 CORROSION INHIBITION PERFORMANCE  MOLECULAR-DYNAMICS SIMULATION  DENSITY-FUNCTIONAL THEORY  CARBON-STEEL CORROSION  MILD-STEEL  SCHIFF-BASE  HCL MEDIUM  STEREOCHEMICAL CONFORMATION  QUINOLINE DERIVATIVES  ABSOLUTE HARDNESS   Coordination behavior of uranyl with PDAM derivatives in solution: Combined study with ESI-MS and DFT 期刊论文 JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 300 作者:  Kong, Xiang-He;  Wu, Qun-Yan;  Zhang, Xin-Rui;  Wang, Cui;  Hu, Kong-Qiu 收藏  |  浏览/下载：7/0  |  提交时间：2020/12/16 SEGMENTED CONTRACTION SCHEME  DENSITY-FUNCTIONAL THEORY  SELECTIVE EXTRACTION  MASS-SPECTROMETRY  LIGAND  COMPLEXES  ACTINIDES  SEPARATION  ELEMENTS  EU(III)   Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements 期刊论文 INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 16, 页码: 11469-11480 作者:  Liu, Yang;  Wang, Cong-Zhi;  Wu, Qun-Yan;  Lan, Jian-Hui;  Chai, Zhi-Fang 收藏  |  浏览/下载：66/0  |  提交时间：2020/12/16 DENSITY-FUNCTIONAL THEORY  COORDINATION CHEMISTRY  ELECTRIC-FIELD  ACTINIDE  LANTHANIDE  COMPLEXES  COVALENCY  AM(III)/EU(III)  EXTRACTION  HYDRATION   Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton 期刊论文 DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 13, 页码: 4093-4099 作者:  Wang, Cui;  Wu, Qun-Yan;  Wang, Cong-Zhi;  Lan, Jian-Hui;  Nie, Chang-Ming 收藏  |  浏览/下载：68/0  |  提交时间：2020/12/16 SEGMENTED CONTRACTION SCHEME  DENSITY-FUNCTIONAL THEORY  MINOR ACTINIDES  AM(III)/EU(III) SELECTIVITY  EXTRACTION SEPARATION  WAVE-FUNCTION  F-ELEMENTS  COMPLEXATION  ENERGY  DESIGN   Coordination of Eu(III) with 1,10-Phenanthroline-2,9-dicarboxamide Derivatives: A Combined Study by MS, TRLIF, and DFT 期刊论文 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 10239-10247 作者:  Zhang, Xinrui;  Kong, Xianghe;  Yuan, Liyong;  Chai, Zhifang;  Shi, Weiqun 收藏  |  浏览/下载：29/0  |  提交时间：2019/12/18 SEGMENTED CONTRACTION SCHEME  DENSITY-FUNCTIONAL THEORY  HYDRATION NUMBER  HIGHER CHARGE  METAL-IONS  COMPLEXES  ACTINIDE  LIGANDS  LUMINESCENCE  SELECTIVITY   Insights into the inhibition mechanism of three 5-phenyltetrazole derivatives for copper corrosion in sulfuric acid medium via experimental and DFT methods 期刊论文 JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS, 2019, 卷号: 102, 页码: 424-437 作者:  Tan, Bochuan;  Zhang, Shengtao;  Liu, Hongyan;  Qiang, Yujie;  Li, Wenpo 收藏  |  浏览/下载：37/0  |  提交时间：2019/12/18 DENSITY-FUNCTIONAL THEORY  0.5 M H2SO4  MILD-STEEL  CARBON-STEEL  IONIC LIQUIDS  CU CORROSION  ADSORPTION  SODIUM  NITROGEN  CU(111)   Two-Dimensional Lamellar Mo2C for Electrochemical Hydrogen Production: Insights into the Origin of Hydrogen Evolution Reaction Activity in Acidic and Alkaline Electrolytes 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 47, 页码: 40500-40508 作者:  Yuan, Wenjin;  Huang, Qing;  Yang, Xianjin;  Cui, Zhenduo;  Zhu, Shengli 收藏  |  浏览/下载：36/0  |  提交时间：2019/12/18 DENSITY-FUNCTIONAL THEORY  MOLYBDENUM CARBIDE  EFFICIENT ELECTROCATALYST  CATALYST  HYBRID  STABILITY  NANOSPHERES  ADSORPTION  CONVERSION  NANOWIRES   Hydrogen adsorption and desorption on the Pt and Pd subnano clusters - a review 期刊论文 FRONTIERS OF PHYSICS IN CHINA, 2009, 卷号: 4, 期号: 3, 页码: 356-366 Chen L; Zhou CG; Wu JP; Cheng HS 收藏  |  浏览/下载：14/0  |  提交时间：2010/10/09 DENSITY-FUNCTIONAL THEORY  H-2 DISSOCIATIVE ADSORPTION  METAL-ORGANIC FRAMEWORKS  PLATINUM CLUSTERS  SURFACES  PT(111)  CHEMISORPTION  MOLECULES  SPILLOVER  DIFFUSION