机构

• 上海应用物理研究所 [2]
• 福建物质结构研究所 [1]
• 化学研究所 [1]
• 昆明植物研究所 [1]

采集方式

• OAI收割 [5]

内容类型

• 期刊论文 [5]

发表日期

• 2023 [1]
• 2020 [1]
• 2015 [1]
• 2010 [1]
• 2006 [1]

学科主题

• Chemistry [1]

筛选

浏览/检索结果: 共5条，第1-5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 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   On the gold-ligand covalency in linear [AuX2](-) complexes 期刊论文  OAI收割 DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 12, 页码: 5535—5546 作者:  Xiong, XG;  Wang, YL;  Xu, CQ;  Qiu, YH;  Wang, LS 收藏  |  浏览/下载：30/0  |  提交时间：2015/12/09 CORRELATED MOLECULAR CALCULATIONS  COUPLED-CLUSTER CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  CONSISTENT BASIS-SETS  CONVERGENT BASIS-SETS  GAUSSIAN-BASIS SETS  THEORETICAL CHEMISTRY  ELECTRONIC-STRUCTURE  SUPERHEAVY ELEMENTS   Density functional study on chirospectra of hydrogen-bonded systems X- (H2O)(3) (X = F, Cl, Br, I) 期刊论文  OAI收割 Chinese Physics B, 2010, 卷号: 19, 期号: 4 C. Y. Mang, Z. G. Li and K. C. Wu 收藏  |  浏览/下载：35/0  |  提交时间：2012/11/02 water cluster  hydrogen-bond  vibrational circular dichroism  infrared  spectra  density functional theory  correlated molecular calculations  gaussian-basis sets  optical-rotatory  power  water clusters  ab-initio  correlation-energy  cobalt(iii)  chiroporphyrin  vibrational spectroscopy  chiral recognition  spectra   Theoretical design of light-emitting polymers - Substitution effects of excited state ordering of polydiacetylene and polyacetylene 期刊论文  OAI收割 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2006, 卷号: 5, 页码: 391-400 作者:  Chen, Liping;  Hou, Xinjuan;  Zhu, Lingyun;  Yin, Shiwei;  Shuai, Z.   |  收藏  |  浏览/下载：28/0  |  提交时间：2019/04/09 Organic Light-emitting Diodes  Correlated Electron Calculations  Excited States Structures  Molecular Design