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

Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals

金属上解离化学吸附的两全其美的预测方法

Powell, Andrew D; Gerrits, Nick; Tchakoua, Theophile; Somers, Mark F; Busnengo, Heriberto F; Meyer, Jörg; Kroes, Geert-Jan; Doblhoff-Dier, Katharina

SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

SBH17:过渡金属表面解离化学吸附势垒高度基准数据库

Tchakoua, T; Gerrits, N; Smeets, E W F; Kroes, G-J

Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles

构建用于描述金属表面解离化学吸附的混合密度泛函:基本原理

Tchakoua, Théophile; Jansen, Tim; van Nies, Youri; van den Elshout, Rebecca F A; van Boxmeer, Bart A B; Poort, Saskia P; Ackermans, Michelle G; Beltrão, Gabriel Spiller; Hildebrand, Stefan A; Beekman, Steijn E J; van der Drift, Thijs; Kaart, Sam; Šantić, Anthonie; Spuijbroek, Esmee E; Gerrits, Nick; Somers, Mark F; Kroes, Geert-Jan