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浏览/检索结果: 共78条，第1-10条 帮助 限定条件 学科主题：Chemistry     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Molecular dynamics simulation of phosphoric acid-based geopolymer 期刊论文  OAI收割 JOURNAL OF SOLID STATE CHEMISTRY, 2022, 卷号: 312, 期号: -, 页码: - 作者:  Huang, Kangqiao;  Zhou, Wei;  Hu, Haixiang;  Liu, Xinghong;  Chang, Xiaolin   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/08/02 Phosphoric acid-based geopolymer (PABG)  Molecular dynamics (MD) simulation  The modified Dreiding force field  The new macromolecular model  Structural and mechanical properties   Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic? 期刊论文  OAI收割 CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554 作者:  Qu, Mengyang;  Huang, Gang;  Liu, Xinyi;  Nie, Xuechuan;  Qi, Chonghai   |  收藏  |  浏览/下载：26/0  |  提交时间：2023/01/16 SUM-FREQUENCY GENERATION  MOLECULAR-DYNAMICS  INTERFACIAL WATER  TITANIUM-DIOXIDE  ELECTRON-TRANSFER  TIO2  SPECTROSCOPY  ADSORPTION  LAYER  PHOTOOXIDATION   A Machine Learning Model to Classify Dynamic Processes in Liquid Water** 期刊论文  OAI收割 CHEMPHYSCHEM, 2022 作者:  Huang, Jie;  Huang, Gang;  Li, Shiben   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/01/16 JUMP MECHANISM  CLUSTERS  EXCHANGE  SPECTROSCOPY  DIFFUSION  NETWORKS  CELL   Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements 期刊论文  OAI收割 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：32/0  |  提交时间：2020/12/16 DENSITY-FUNCTIONAL THEORY  COORDINATION CHEMISTRY  ELECTRIC-FIELD  ACTINIDE  LANTHANIDE  COMPLEXES  COVALENCY  AM(III)/EU(III)  EXTRACTION  HYDRATION   Quantum chemical studies of selective back-extraction of Am(III) from Eu(III) and Cm(III) with two hydrophilic 1,10-phenanthroline-2,9-bis-triazolyl ligands 期刊论文  OAI收割 RADIOCHIMICA ACTA, 2020, 卷号: 108, 期号: 7, 页码: 517-526 作者:  Huang, Pin-Wen;  Wang, Cong-Zhi;  Wu, Qun-Yan;  Lan, Jian-Hui;  Chai, Zhi-Fang   |  收藏  |  浏览/下载：30/0  |  提交时间：2020/12/16 N,N,N',N'-TETRAOCTYL DIGLYCOLAMIDE  TRIVALENT ACTINIDES  SOLVENT-EXTRACTION  SEPARATION  COMPLEXATION  DENSITY  LANTHANIDES  ENERGY  BONDS  APPROXIMATION   Infrared Spectroscopic Study of Pepsin Secondary Structure Changes on Surfaces 期刊论文  OAI收割 CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2020, 卷号: 48, 期号: 9, 页码: 1273-1278 作者:     |  收藏  |  浏览/下载：19/0  |  提交时间：2020/12/16 FTIR  BARE  ATR   Dihydrazone-based dynamic covalent epoxy networks with high creep resistance, controlled degradability, and intrinsic antibacterial properties from bioresources 期刊论文  OAI收割 JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 22, 页码: 11261-11274 作者:     |  收藏  |  浏览/下载：21/0  |  提交时间：2020/12/16 HIGH-PERFORMANCE  POLYMER NETWORKS  THERMOSETS  VITRIMERS  TRANSALKYLATION  LINKAGES  BONDS  BLOCK   Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton 期刊论文  OAI收割 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：24/0  |  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   Synthesis and Application of Sustainable Furfuryl Alcohol-based Plasticizer 期刊论文  OAI收割 CHEMISTRYSELECT, 2020, 卷号: 5, 期号: 13, 页码: 4085-4090 作者:  Chen, Hao;  Ding, Jiheng;  Liang, Hongzhe;  Yu, Haibin   |  收藏  |  浏览/下载：27/0  |  提交时间：2020/12/16 BIO-BASED PLASTICIZER  WASTE FRYING OIL  THERMAL-DEGRADATION  ETHOXYLATED ESTERS  AEROBIC OXIDATION  MALEIC-ANHYDRIDE  PVC  ACID  MIGRATION   Complexation of trivalent lanthanides and actinides with diethylenetriaminepentaacetic acid: Theoretical unraveling of bond covalency 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 299 作者:  Chen, Yan-Mei;  Wang, Cong-Zhi;  Wu, Qun-Yan;  Lan, Jian-Hui;  Chai, Zhi-Fang   |  收藏  |  浏览/下载：42/0  |  提交时间：2020/12/16 SEGMENTED CONTRACTION SCHEME  ELECTRON-DENSITY  STRUCTURAL DETERMINATION  OPTICAL SPECTROSCOPY  METAL-COMPLEXES  BASIS-SETS  ENERGY  EXTRACTION  SEPARATION  9-COORDINATE