| 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:paperofreaxff [2024/02/22 19:20] – [精选案例] liu.jun | adf:paperofreaxff [2024/04/28 19:09] (当前版本) – [精选案例] liu.jun |
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| <WRAP half column> | <WRAP half column> |
| ====2024==== | ====2024==== |
| | - [[https://www.fermitech.com.cn/news/reaxffhighlight20240429|ReaxFF新力场：全无机卤化物钙钛矿中卤化物混合的原子效应]] |
| - 【华中科技大学】[[https://www.fermitech.com.cn/news/reaxffhighlight202401|矿物油热解过程中多环芳烃形成机理的ReaxFF分子动力学研究]], Fuel, 2024, 131175, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0016236124003211|10.1016/j.fuel.2024.131175]] | - 【华中科技大学】[[https://www.fermitech.com.cn/news/reaxffhighlight202401|矿物油热解过程中多环芳烃形成机理的ReaxFF分子动力学研究]], Fuel, 2024, 131175, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0016236124003211|10.1016/j.fuel.2024.131175]] |
| - 【宁夏大学白红存教授课题组】基于化学键合环境分析的化学循环燃烧过程中有机芳烃氮转化机理及复杂反应网络, Fuel, Volume 364, 15 May 2024, 131088, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0016236124002345|10.1016/j.fuel.2024.131088]] | - 【宁夏大学白红存教授课题组】基于化学键合环境分析的化学循环燃烧过程中有机芳烃氮转化机理及复杂反应网络, Fuel, Volume 364, 15 May 2024, 131088, DOI: [[https://www.sciencedirect.com/science/article/abs/pii/S0016236124002345|10.1016/j.fuel.2024.131088]] |
| <WRAP half column> | <WRAP half column> |
| ====2021==== | ====2021==== |
| | - 【广西大学郑含博教授课题组】棕榈油作为天然酯绝缘油用于变压器过热热故障分析的微观机理研究, High Volt., 7 (4) (2021), pp. 812-824, DOI: [[https://ietresearch.onlinelibrary.wiley.com/doi/10.1049/hve2.12182|10.1049/hve2.12182]] |
| - [[https://www.fermitech.com.cn/ams/ams_application/reaxffhighlight202105|碳纤维增强玻璃聚合物材料中的疲劳逆转(Carbon 2021)]] | - [[https://www.fermitech.com.cn/ams/ams_application/reaxffhighlight202105|碳纤维增强玻璃聚合物材料中的疲劳逆转(Carbon 2021)]] |
| - [[https://www.sciencedirect.com/science/article/abs/pii/S0144861721013242|化学-酶功能化可持续纤维素膜：区域选择性对离子捕获和防污行为的影响(Carbohydrate Polymers 2021)]] | - [[https://www.sciencedirect.com/science/article/abs/pii/S0144861721013242|化学-酶功能化可持续纤维素膜：区域选择性对离子捕获和防污行为的影响(Carbohydrate Polymers 2021)]] |
| - J. Phys. Chem. C: BCl3和NH3原子层沉积氮化硼初始生长的反应力场分子动力学研究, DOI：[[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.3c06704|10.1021/acs.jpcc.3c06704]] | - J. Phys. Chem. C: BCl3和NH3原子层沉积氮化硼初始生长的反应力场分子动力学研究, DOI：[[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.3c06704|10.1021/acs.jpcc.3c06704]] |
| ====2023：==== | ====2023：==== |
| | - ACS Omega：【西安近代化学所】[[https://pubs.acs.org/doi/full/10.1021/acsomega.2c06188|ReaxFF反作用力场对Ni–Al合金–H2O反应的分子动力学模拟]] |
| - J. Phys. Chem. C: [[https://pubs.acs.org/doi/full/10.1021/acs.jpcc.3c03901|Exploring the Interaction of Water with Open Metal Sites in MIL-101(Cr) by 1H NMR Relaxometry and ReaxFF Molecular Dynamics Simulations]] | - J. Phys. Chem. C: [[https://pubs.acs.org/doi/full/10.1021/acs.jpcc.3c03901|Exploring the Interaction of Water with Open Metal Sites in MIL-101(Cr) by 1H NMR Relaxometry and ReaxFF Molecular Dynamics Simulations]] |
| - J. Phys. Chem. C: [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.3c01057|电解质的选择对钛酸氢质子耦合电化学反应选择性的影响]] | - J. Phys. Chem. C: [[https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.3c01057|电解质的选择对钛酸氢质子耦合电化学反应选择性的影响]] |
