日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

The CP2K Program Package Made Simple

CP2K 程序包简明教程

Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Gökmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V; Brehm, Martin; Schade, Robert; Schütt, Ole; Pototschnig, Johann V; Mirhosseini, Hossein; Knüpfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jürg; Kühne, Thomas D

Prediction of highly stable 2D carbon allotropes based on azulenoid kekulene

基于薁烯类化合物凯库伦烯的高稳定性二维碳同素异形体的预测

Zhang, Zhenzhe; Pham, Hanh D M; Perepichka, Dmytro F; Khaliullin, Rustam Z

Light-driven transition-metal-free direct decarbonylation of unstrained diaryl ketones via a dual C-C bond cleavage

光驱动的无过渡金属催化下,通过双C-C键断裂直接脱羰基化无张力二芳基酮

Cao, Dawei; Ataya, Mohamad; Chen, Zhangpei; Zeng, Huiying; Peng, Yong; Khaliullin, Rustam Z; Li, Chao-Jun

Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments

质子核磁共振实验可以用来探测液态水中氢键的共价性。

Elgabarty, Hossam; Khaliullin, Rustam Z; Kühne, Thomas D