adf:multiscale
差别
| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版 |
| adf:multiscale [2022/06/04 17:38] – liu.jun | adf:multiscale [2024/01/20 19:54] (当前版本) – [多尺度模拟/QMMM案例] liu.jun |
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| ======多尺度模拟案例====== | [[adf:publishedpapers|上级目录]] |
| | ======多尺度模拟/QMMM案例[目录]====== |
| | - Multiscale Methods Framework with the 3D-RISM-KH Molecular Solvation Theory for Supramolecular Structures, Nanomaterials, and Biomolecules: Where Are We Going?, [[https://www.mdpi.com/2673-7264/3/3/23|Thermo, 2023, 3(3), 375-395, DOI: 10.3390/thermo3030023]] |
| | - QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models, J. Chem. Theory Comput. 2023, DOI: [[https://pubs.acs.org/doi/full/10.1021/acs.jctc.3c00177|10.1021/acs.jctc.3c00177]] |
| | - [[https://arxiv.org/ftp/arxiv/papers/2302/2302.13753.pdf|Multimodal Techniques for Detecting Alien Life using Assembly Theory and Spectroscopy(arXiv 2023)]] |
| - [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight202203|Fe/Co掺杂镍基载氧体的化学链燃烧反应机理和性能(Fuel ProcessingTechnology 2022)]] | - [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight202203|Fe/Co掺杂镍基载氧体的化学链燃烧反应机理和性能(Fuel ProcessingTechnology 2022)]] |
| - [[https://pure.rug.nl/ws/portalfiles/portal/169171394/Chapter_6.pdf|New mechanistic insights into the acidolysis of the lignin β-O-4 linkage with ethylene glycol stabilization aided by multilevel computational chemistry(2021)]] | - [[https://pure.rug.nl/ws/portalfiles/portal/169171394/Chapter_6.pdf|New mechanistic insights into the acidolysis of the lignin β-O-4 linkage with ethylene glycol stabilization aided by multilevel computational chemistry(2021)]] |
adf/multiscale.1654335487.txt.gz · 最后更改: 2022/06/04 17:38 由 liu.jun
