机构

• 上海应用物理研究所 [33]
• 福建物质结构研究所 [14]
• 长春应用化学研究所 [8]
• 宁波材料技术与工程研... [6]
• 物理研究所 [3]
• 金属研究所 [3]
• 更多

采集方式

• OAI收割 [73]

内容类型

• 期刊论文 [72]
• 会议论文 [1]

发表日期

• 2023 [2]
• 2020 [8]
• 2019 [8]
• 2018 [7]
• 2017 [5]
• 2016 [5]
• 更多

学科主题

• Chemistry [6]
• Physics [3]
• Electroche... [1]

筛选

浏览/检索结果: 共73条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Clay-supported acidic ionic liquid as an efficient catalyst for conversion of carbohydrates to 5-hydroxymethylfurfural 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2023, 卷号: 382, 页码: 121847 作者:  Sadjadi, Samahe;  Abedian-Dehaghani, Neda;  Heravi, Majid M.;  Zhong, Xuemin;  Yuan, Peng   |  收藏  |  浏览/下载：13/0  |  提交时间：2024/09/26 BASIS-SETS  HALLOYSITE NANOTUBES  CORRELATION-ENERGY  OLEFIN METATHESIS  FRUCTOSE  DEHYDRATION  GLUCOSE  THERMOCHEMISTRY  TRANSFORMATION  APPROXIMATION   Inverse Electron-Demanding Diels-Alder Reactions in the Chemical Synthesis of Prenylated Indole Alkaloids Containing a Bicycle[2.2.2]diazaoctane Moiety: A Theoretical Study 期刊论文  OAI收割 CHEMISTRY-AN ASIAN JOURNAL, 2023, 卷号: 18, 期号: 7 作者:  Xu,Wenqiang;  Sun,Tian-Yu;  Di,Yingtong;  Hao,Xiaojiang;  Wu,Yun-Dong   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/07/10 alkaloids  chemical synthesis  inverse-electron demanding Diels-Alder reaction  reaction mechanisms  theoretical study  BIOMIMETIC TOTAL-SYNTHESIS  CORRELATED MOLECULAR CALCULATIONS  MARINE-DERIVED FUNGUS  GAUSSIAN-BASIS SETS  (-)-VERSICOLAMIDE B  ORBITAL METHODS  BREVIANAMIDE-A  STEPHACIDIN-A  MODEL  CONCISE   Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN](-): Spin-Orbit Coupling and Low-Lying Excited States 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 23, 页码: 4712-4719 作者:  Xiong, XG;  Liu, HT   |  收藏  |  浏览/下载：45/0  |  提交时间：2021/09/06 CORRELATED MOLECULAR CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  GAUSSIAN-BASIS SETS  GOLD CHEMISTRY  VALENCE INDEXES  ELECTRONIC-STRUCTURE  STATISTICAL AVERAGE  PERTURBATION-THEORY  BOND ORDER   Complexation of Ln(3+) with Pyridine-2,6-dicarboxamide: Formation of the 1:2 Complexes in Solution and Gas Phase 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 19, 页码: 14486-14492 作者:  Chen, XT;  Xiong, ZX;  Gong, Y   |  收藏  |  浏览/下载：42/0  |  提交时间：2021/09/06 MOLECULAR-ORBITAL METHODS  CHARGED METAL-IONS  PHOTOPHYSICAL PROPERTIES  LANTHANIDE COMPLEXES  MASS-SPECTROMETRY  CRYSTAL-STRUCTURE  BASIS-SETS  COORDINATION  EXTRACTION  CHEMISTRY   End-On Cyanogen Complexes of Iridium, Palladium, and Platinum 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 9, 页码: 6489-6495 作者:  Chen, XT;  Xiong, ZX;  Andrews, L;  Gong, Y   |  收藏  |  浏览/下载：28/0  |  提交时间：2021/09/06 MATRIX INFRARED-SPECTRA  ANION PHOTOELECTRON-SPECTROSCOPY  DENSITY-FUNCTIONAL CALCULATIONS  LASER-ABLATED PLATINUM  THEORETICAL INVESTIGATIONS  COORDINATION CHEMISTRY  HYDROGEN-CYANIDE  BASIS-SETS  ATOMS  NICKEL   Probing the Hydrogen Bonding in Microsolvated Clusters of Au-1,2(-)(Solv)(n) (Solv = C2H5OH, n-C3H7OH; n=1-3 for Au-; n=1 for Au-2(-)) 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5590-5598 作者:  Wang, YT;  Han, CC;  Fei, ZJ;  Dong, CW;  Liu, HT   |  收藏  |  浏览/下载：27/0  |  提交时间：2021/09/06 QUADRATIC CONFIGURATION-INTERACTION  GENERALIZED GRADIENT APPROXIMATION  VAPOR-PHASE HYDROCHLORINATION  CATALYTIC-ACTIVITY  CO OXIDATION  PHOTOELECTRON-SPECTROSCOPY  DENSITY FUNCTIONALS  AEROBIC OXIDATION  CARBON-DIOXIDE  BASIS-SETS   Structure of aqueous sodium acetate solutions by X-Ray scattering and density functional theory 期刊论文  OAI收割 PURE AND APPLIED CHEMISTRY, 2020, 卷号: 92, 期号: 10, 页码: 1627-1641 作者:  Wang, GG;  Zhou, YQ;  Lin, H;  Jing, ZF;  Liu, HY   |  收藏  |  浏览/下载：30/0  |  提交时间：2021/09/06 RADIAL-DISTRIBUTION FUNCTIONS  ALKALI-METAL IONS  MOLECULAR-DYNAMICS  BASIS-SETS  HYDRATION  DIFFRACTION  WATER  CARBOXYLATE  STABILITY  ANION   Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity 期刊论文  OAI收割 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：33/0  |  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   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：54/0  |  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   Electronic structures and bonding of the actinide halides An(TRENTIPS)X (An = Th-Pu; X = F-I): a theoretical perspective 期刊论文  OAI收割 DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 44, 页码: 15895-15902 作者:  Wu, Qun-Yan;  Wang, Cong-Zhi;  Lan, Jian-Hui;  Chai, Zhi-Fang;  Shi, Wei-Qun   |  收藏  |  浏览/下载：19/0  |  提交时间：2021/12/01 RAY-ABSORPTION SPECTROSCOPY  MULTIPLE BONDS  CORRELATION-ENERGY  BASIS-SETS  COMPLEXES  COVALENCY  CL  REACTIVITY  ELEMENTS  THERMOCHEMISTRY