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• 期刊论文 [65]

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浏览/检索结果: 共65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 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   Interpreting main features of the differential absorbance spectra of chlorinated natural organic matter: Comparison of the experimental and theoretical spectra of model compounds 期刊论文  OAI收割 WATER RESEARCH, 2020, 卷号: 185, 页码: 1-12 作者:  Chen, Bingya;  Zhang, Chenyang;  Zhao, Yanmei;  Wang, Dongsheng;  Korshin, Gregory, V   |  收藏  |  浏览/下载：27/0  |  提交时间：2021/09/14 Chlorination  Differential absorbance spectra  Disinfection byproducts  Electronic transition  Natural organic matter  Frontier molecular orbital theory   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   Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9 作者:  Gao, Haiyan;  Yang, Xiaohui;  Zhang, Tianjie;  Yang, Dapeng   |  收藏  |  浏览/下载：91/0  |  提交时间：2019/12/02 charge density differences  charge redistribution  ESIPT  frontier molecular orbital  intramolecular hydrogen bond   Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures 期刊论文  OAI收割 NANO ENERGY, 2019, 卷号: 60, 页码: 1 作者:  Hong, Min;  Wang, Yuan;  Xu, Shengduo;  Shi, Xun;  Chen, Lidong   |  收藏  |  浏览/下载：64/0  |  提交时间：2019/12/26 Nanoscale pores  Phonon scatterings  Thermoelectrics  Molecular orbital theory  Density functional theory calculations   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164 作者:  Song, Xiaoyan;  Zhang, Tianjie;  Zhang, Qiaoli;  Yang, Dapeng;  Yang, Guang   |  收藏  |  浏览/下载：62/0  |  提交时间：2019/06/20 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation 期刊论文  iSwitch采集 Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164 作者:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：77/0  |  提交时间：2019/05/08 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Bottom-Up Construction of Active Sites in a Cu-N-4-C Catalyst for Highly Efficient Oxygen Reduction Reaction 期刊论文  OAI收割 ACS NANO, 2019, 卷号: 13, 期号: 3, 页码: 3177-3187 作者:  Li, Wei;  Min, Chungang;  Tan, Feng;  Li, Zhanping;  Zhang, Bingsen   |  收藏  |  浏览/下载：23/0  |  提交时间：2021/02/02 bottom-up fabrication  single molecular building blocks  ORR  Cu-N-4 active sites  orbital symmetry   A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文  OAI收割 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61 作者:  Yang, Dapeng;  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan   |  收藏  |  浏览/下载：56/0  |  提交时间：2019/06/20 frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer   A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文  iSwitch采集 Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 56-61 作者:  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：51/0  |  提交时间：2019/05/08 Frontier molecular orbital  Infrared spectra  Intramolecular hydrogen bond  Potential energy curves  Proton transfer