| 两侧同时换到之前的修订记录前一修订版后一修订版 | 前一修订版后一修订版两侧同时换到之后的修订记录 |
| adf:adf专页 [2020/07/28 10:08] – [一、精选最新发表文章] liu.jun | adf:adf专页 [2020/08/29 07:19] – [一、精选最新发表文章] liu.jun |
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| ====1，ADF案例精选：分子、团簇体系第一性原理计算==== | ====1，ADF案例精选：分子、团簇体系第一性原理计算==== |
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| | * [[https://www.sciencedirect.com/science/article/pii/S0012821X20304842|海洋铁锰结壳中铜的同位素不平衡(EARTH PLANET SC LETT 2020)]] |
| * [[https://www.nature.com/articles/s41586-020-2479-2|压缩吡咯烷二硫代氨基甲酸锔提高共价性(Nature. 2020)]] | * [[https://www.nature.com/articles/s41586-020-2479-2|压缩吡咯烷二硫代氨基甲酸锔提高共价性(Nature. 2020)]] |
| * [[https://www.nature.com/articles/s41467-020-17187-4|以贵金属为核心的铅团簇(Nat. Comm. 2020)]] | * [[https://www.nature.com/articles/s41467-020-17187-4|以贵金属为核心的铅团簇(Nat. Comm. 2020)]] |
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| ====2，BAND案例精选：周期性体系第一性原理计算==== | ====2，BAND案例精选：周期性体系第一性原理计算==== |
| * [[https://www.sciencedirect.com/science/article/abs/pii/S1872206720636178|负载型离子液体相（SILP）金基催化剂上乙炔氢氯化反应：氯化氢化学活化对阳离子金的稳定作用及其机理(催化学报 2020)]] | * [[https://www.sciencedirect.com/science/article/abs/pii/S1872206720636178|负载型离子液体相（SILP）金基催化剂上乙炔氢氯化反应：氯化氢化学活化对阳离子金的稳定作用及其机理 (催化学报 2020)]] |
| * [[https://www.fermitech.com.cn/ams/bandhighlight202005|铁中大角度晶界原子间键的强度(Adv. Mat. 2020)]] | * [[https://www.fermitech.com.cn/ams/bandhighlight202005|铁中大角度晶界原子间键的强度(Adv. Mat. 2020)]] |
| * [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight-202004|二维光电子学：WS2-WSe2异质层中扭曲角依赖的层间激子扩散(Nat. Mat. 2020)]] | * [[https://www.fermitech.com.cn/ams/ams_application/bandhighlight-202004|二维光电子学：WS2-WSe2异质层中扭曲角依赖的层间激子扩散(Nat. Mat. 2020)]] |
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| ====4，ReaxFF案例精选：反应分子动力学==== | ====4，ReaxFF案例精选：反应分子动力学==== |
| | * [[https://www.fermitech.com.cn/ams/ams_application/reaxffhilight202002/|基于Bond Boost加速反应分子动力学的柠檬酸盐聚合物生物降解模拟(Phys. Chem. B 2020)]] |
| * [[https://aip.scitation.org/doi/full/10.1063/5.0006676|超临界温度下电解质-水体系模拟(J. Chem. Phys 2020)]] | * [[https://aip.scitation.org/doi/full/10.1063/5.0006676|超临界温度下电解质-水体系模拟(J. Chem. Phys 2020)]] |
| * [[https://www.sciencedirect.com/science/article/abs/pii/S002230932030257X|酸浸表面对钠钙硅酸盐玻璃压痕开裂的影响(J Non-Cryst Solids 2020)]] | * [[https://www.sciencedirect.com/science/article/abs/pii/S002230932030257X|酸浸表面对钠钙硅酸盐玻璃压痕开裂的影响(J Non-Cryst Solids 2020)]] |
