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

Distinct solvation patterns of OH(-) versus H(3)O(+) charge defects at electrified gold/water interfaces govern their properties

带电金/水界面上OH⁻和H₃O⁺电荷缺陷不同的溶剂化模式决定了它们的性质。

Park, Chanbum; Ghosh, Soumya; Forbert, Harald; Marx, Dominik

Probing Local Electrostatics of Glycine in Aqueous Solution by THz Spectroscopy

利用太赫兹光谱探测水溶液中甘氨酸的局部静电特性

Sebastiani, Federico; Ma, Chun Yu; Funke, Sarah; Bäumer, Alexander; Decka, Dominique; Hoberg, Claudius; Esser, Alexander; Forbert, Harald; Schwaab, Gerhard; Marx, Dominik; Havenith, Martina

Acid solvation versus dissociation at "stardust conditions": Reaction sequence matters

在“星尘”条件下,酸的溶剂化与解离:反应顺序至关重要

Mani, Devendra; de Tudela, Ricardo Pérez; Schwan, Raffael; Pal, Nitish; Körning, Saskia; Forbert, Harald; Redlich, Britta; van der Meer, A F G; Schwaab, Gerhard; Marx, Dominik; Havenith, Martina

Tagging effects on the mid-infrared spectrum of microsolvated protonated methane

标记效应对微溶剂化质子化甲烷的中红外光谱的影响

Esser, Alexander; Forbert, Harald; Marx, Dominik

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

从第一性原理出发,通过时间和空间上的相关性来剖析液态水的太赫兹光谱

Heyden, Matthias; Sun, Jian; Funkner, Stefan; Mathias, Gerald; Forbert, Harald; Havenith, Martina; Marx, Dominik