机构

• 大连化学物理研究所 [22]
• 物理研究所 [12]
• 上海应用物理研究所 [10]
• 长春光学精密机械与物... [7]
• 金属研究所 [6]
• 理论物理研究所 [6]
• 更多

采集方式

• OAI收割 [87]
• iSwitch采集 [3]

内容类型

• 期刊论文 [83]
• 会议论文 [7]

发表日期

• 2022 [2]
• 2020 [3]
• 2019 [7]
• 2018 [3]
• 2017 [8]
• 2016 [6]
• 更多

学科主题

• Physics [6]
• Biochemist... [1]
• 光学;量子光学 [1]
• 半导体材料 [1]

筛选

浏览/检索结果: 共90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 Hydrate-based SF6 6 capture and sequestration: Insights from thermodynamics, kinetics, in-situ - situ Raman spectroscopy, and molecular dynamic simulation 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 499, 页码: 13 作者:  Sun, Jiyue;  Zhang, Ye;  Chou, I-Ming;  Jiang, Lei;  Li, Xiaosen   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/11/25 SF 6 hydrate  Thermodynamic  Kinetic  Raman spectra  Molecular dynamic simulation   Magnitude Filter Combined with Mass Filter: A Reliable Strategy to Improve the Reproducibility of ESI-FT-ICR-MS Analysis on the Fingerprint of Dissolved Organic Matter 期刊论文  OAI收割 ANALYTICAL CHEMISTRY, 2022, 期号: 0, 页码: 1-8 作者:  Chen, Miao;  Wei, Dongbin;  Li, Liping;  Wang, Feipeng;  Du, Yuguo   |  收藏  |  浏览/下载：18/0  |  提交时间：2022/11/08 SOLID-PHASE EXTRACTION  MOLECULAR CHARACTERIZATION  WATER  SPECTROMETRY  SPECTRA   Exploring dielectric spectra of polymer through molecular dynamics simulations 期刊论文  OAI收割 MOLECULAR SIMULATION, 2022, 页码: 9 作者:  Yang, Xue-Dan;  Chen, Wei;  Ren, Ying;  Chu, Liang-Yin   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/02/24 Molecular dynamics simulations  dielectric spectra  poly(N-isopropylacrylamide)   Predicting the components and types of kerogen in shale by combining machine learning with NMR spectra 期刊论文  OAI收割 FUEL, 2021, 卷号: 290, 页码: 10 作者:  Kang DL(康东亮);  Wang XH(王晓荷);  Zheng XJ(郑晓娇);  Zhao YP(赵亚溥);  Zhao YP(赵亚溥)   |  收藏  |  浏览/下载：55/0  |  提交时间：2021/03/30 Machine learning  Kerogen and shale  Molecular structure  High-throughput prediction  NMR spectra datasets   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   Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 卷号: 124, 期号: 30, 页码: 6671-6678 作者:  Wang, CY;  Chen, XT;  Wei, R;  Gong, Y   |  收藏  |  浏览/下载：23/0  |  提交时间：2021/09/06 DENSITY-FUNCTIONAL THEORY  HIGH-TEMPERATURE NMR  BIS(TRIFLUOROMETHANESULFONYL) IMIDE ANION  IONIC LIQUID  VIBRATIONAL-SPECTRA  RARE-EARTH  MOLECULAR-DYNAMICS  LOCAL-STRUCTURE  BINARY MELTS  BASIS-SET   Probing NaCl hydrate formation from aqueous solutions by terahertz time-domain spectroscopy 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 32, 页码: 17791-17797 作者:  Chen, LG;  Ren, GH;  Liu, LY;  Guo, P;  Wang, ED   |  收藏  |  浏览/下载：39/0  |  提交时间：2021/09/06 X-RAY  MOLECULAR-DYNAMICS  WATER-STRUCTURE  THZ SPECTRA  ICE  IONS  HYSTERESIS  PRINCIPLES  SCATTERING  PHASE   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   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：57/0  |  提交时间：2019/06/20 frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer