中国科学院机构知识库网格系统: 检索

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	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：9/0 \| 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
	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
	Regulating the performance of polybenzoxazine via the regiochemistry of amide substituents 期刊论文 OAI收割 POLYMER, 2019, 卷号: 181 作者: Liu, Jingkai; Cao, Lijun; Dai, Jinyue; Xia, Dasha; Peng, Yunyan \| 收藏 \| 浏览/下载：43/0 \| 提交时间：2019/12/18 BONDING INTERACTION INFLUENCE RING-OPENING POLYMERIZATION SURFACE-FREE-ENERGY GAUSSIAN-BASIS SETS THERMAL-PROPERTIES ATOMS LI BENZOXAZINE FURAN BEHAVIOR NETWORKS
	Side-On Sulfur Monoxide Complexes of Tantalum, Niobium, and Vanadium Oxyfluorides 期刊论文 OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 6, 页码: 3807—3814 作者: Wei, R; Chen, XT; Gong, Y \| 收藏 \| 浏览/下载：31/0 \| 提交时间：2019/12/30 GAUSSIAN-BASIS SETS INFRARED-SPECTRA THEORETICAL INVESTIGATIONS MOLECULAR CALCULATIONS ATOM REACTIONS TRIPLE BONDS METAL ATOM COORDINATION ACTIVATION TITANIUM
	Bidentate Sulfur Dioxide Complexes of Scandium, Yttrium, and Lanthanum Difluorides 期刊论文 OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 8, 页码: 5281—5288 作者: Wei, R; Chen, XT; Gong, Y \| 收藏 \| 浏览/下载：37/0 \| 提交时间：2019/12/30 GAUSSIAN-BASIS SETS INFRARED-SPECTRA THEORETICAL INVESTIGATIONS MOLECULAR CALCULATIONS REVERSIBLE BINDING OXYGEN DIFLUORIDE ATOMS SO2 SINGLE PLANAR
	End-On Oxygen-Bound Sulfur Monoxide Complex of Titanium Oxyfluoride 期刊论文 OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 17, 页码: 11801-11806 作者: Wei, R; Chen, XT; Gong, Y \| 收藏 \| 浏览/下载：21/0 \| 提交时间：2020/10/16 GAUSSIAN-BASIS SETS MOLECULAR CALCULATIONS MATRIX PREPARATION CORRELATION-ENERGY INFRARED-SPECTRA COORDINATION SINGLE ATOMS SO2 THERMOCHEMISTRY
	Infrared Spectroscopic and Theoretical Studies of Group 3 Metal Isocyanide Molecules 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 35, 页码: 7099-7106 作者: Chen, XT; Li, QNA; Andrews, L; Gong, Y \| 收藏 \| 浏览/下载：91/0 \| 提交时间：2019/12/17 DENSITY-FUNCTIONAL CALCULATIONS PURE ROTATIONAL SPECTRUM GAUSSIAN-BASIS SETS DFT CALCULATIONS SOLID ARGON MATRIX PREPARATION TRANSITION-METALS WAVE-FUNCTIONS MH4-M ATOMS
	Matrix Infrared Spectra of Manganese and Iron Isocyanide Complexes 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8835-8842 作者: Chen, XT; Li, QNA; Andrews, L; Gong, Y \| 收藏 \| 浏览/下载：20/0 \| 提交时间：2018/08/30 Density-functional Calculations Electronic Ground-state Gaussian-basis Sets Molecular Calculations Transition-metals Hydrogen-cyanide Solid Argon Atoms Fenc Fecn