adf:dftbhighlight
差别
| 两侧同时换到之前的修订记录前一修订版 | |
| adf:dftbhighlight [2021/04/10 11:54] – liu.jun | adf:dftbhighlight [2021/07/13 10:30] (当前版本) – 移除 liu.jun |
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| ======DFTB专区====== | |
| * [[https://arxiv.org/ftp/arxiv/papers/2104/2104.01738.pdf|用扩展密度泛函紧束缚有效计算金属卤化物钙钛矿性质：GFN1-xTB方法(arxiv.org 2021)]] | |
| * [[https://pubs.rsc.org/en/content/articlehtml/2020/sc/d0sc02485f|振动圆二色谱法研究机械平面手性轮烷的手性表达(Chem. Sci., 2020)]] | |
| * [[https://pubs.acs.org/doi/full/10.1021/acs.jpcc.0c09551|全溶剂化染料敏化光阳极中光诱导电子注入DFTB-MD研究(J. Phys. Chem. C 2020)]] | |
| * [[https://aip.scitation.org/doi/full/10.1063/5.0025672|纳米银颗粒均二聚体和异二聚体光学性质的TD-DFTB研究(J. Chem. Phys. 2020)]] | |
| * [[https://link.springer.com/article/10.1007/s00894-020-04484-4|纳米团簇结构全局优化的半经验和DFTB方法的可靠性(Journal of Molecular Modeling 2020)]] | |
adf/dftbhighlight.1618026888.txt.gz · 最后更改: 2021/04/10 11:54 由 liu.jun
