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

From Plastic Waste to Pharmaceutical Precursors: PET Upcycling Through Ruthenium Catalyzed Semi-Hydrogenation

从塑料废料到医药前体:钌催化半氢化法实现PET升级再造

Kulyabin, Pavel S; Luk, James; Uslamin, Evgeny A; Kolganov, Alexander A; Saini, Garima; Marcial-Hernandez, Raymundo; Pancholi, Ketan; Kühne, Benjamin; Dauth, Alexander; McKay, Aidan P; Cordes, David B; Pidko, Evgeny A; Kumar, Amit

Engineered alcohol oxidases catalyse transesterification in aqueous media without competing hydrolysis

工程改造的醇氧化酶在水性介质中催化酯交换反应,而不会发生竞争性水解反应。

Wu, Bin; Ma, Yunjian; Feng, Chenhao; Ren, Limei; Domestici, Chiara; Wang, Yutong; Hilberath, Thomas; Hanefeld, Ulf; Pidko, Evgeny A; Hollmann, Frank; Wang, Yonghua

Origin of the (31)P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann-Beckett Method Relate to Lewis Acid Strength?

三乙基氧化膦路易斯酸加合物中 (31)P NMR 化学位移的起源。Gutmann-Beckett 方法与路易斯酸强度有关吗?

Kolganov, Alexander A; Kling, Maximillian; Conley, Matthew P; Pidko, Evgeny A

Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis

受激动态和共振催化领域面临的重大挑战和机遇

Monai, Matteo; Albrecht, Wiebke; Alkemper, Achim; Artrith, Nongnuch; Baldi, Andrea; Beck, Arik; Berry, Ryan T; Bianco, Ettore; Brzesowsky, Floor A; Dong, Qi; Faria Albanese, Jimmy A; Frontiera, Renee R; Galvin, Elaina; Garnett, Erik C; Gerrits, Nick; Grzelczak, Marek; Herzog, Marc; Hess, Franziska; Kolganov, Alexander A; Koopman, Wouter; Kosinov, Nikolay; Lander, Sarah; Lepre, Enrico; Maaskant, D Nicolette; Miao, Guobin; Naik, Aadesh Mohan; Onn, Tzia Ming; Peterson, Andrew A; Piankova, Diana; Pidko, Evgeny A; Trangwachirachai, Korawich; van den Bosch, Floris; Xu, Di; Yilmaz, Begum; Zeininger, Johannes; Alarcón Lladó, Esther; Meyer, Jörg; Dauenhauer, Paul J; Askes, Sven H C

Performance of Meta's Universal Model for Atoms across the Conformational and Configurational Space of Diverse Transition-Metal Catalysts

Meta通用原子模型在各种过渡金属催化剂构象和构型空间中的性能

Kalikadien, Adarsh V; Pidko, Evgeny A

Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal Complexes

基于数据的过渡金属配合物构象集合虚拟筛选

Finta, Sára; Kalikadien, Adarsh V; Pidko, Evgeny A

Hydride Accessibility and Reactivity in the Configurational and Stoichiometric Space of β-Ga(2)O(3) for CO(2) Hydrogenation

β-Ga₂O₃构型和化学计量空间中氢化物可及性和反应活性对CO₂加氢的影响

Baidun, Margareth S; Kolganov, Alexander A; Alexandrova, Anastassia N; Pidko, Evgeny A

Ground-up generation of periodic slab models of dehydroxylated amorphous silica of varying roughness

从零开始生成具有不同粗糙度的脱羟基无定形二氧化硅周期性平板模型

Klein, Mas P; Pidko, Evgeny A; Kolganov, Alexander A

Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts

基于高通量实验数据的机器学习模型在不对称氢化催化剂发现中的应用

Kalikadien, Adarsh V; Valsecchi, Cecile; van Putten, Robbert; Maes, Tor; Muuronen, Mikko; Dyubankova, Natalia; Lefort, Laurent; Pidko, Evgeny A

MACE: Automated Assessment of Stereochemistry of Transition Metal Complexes and Its Applications in Computational Catalysis

MACE:过渡金属配合物立体化学的自动评估及其在计算催化中的应用

Chernyshov, Ivan Yu; Pidko, Evgeny A