Uncovering the Activity of Alkaline Earth Metal Hydrogenation Catalysis Through Molecular Volcano Plots [0.03%]
通过分子火山图揭示碱土金属加氢催化活性
Shubhajit Das,Bart De Tobel,Mercedes Alonso et al.
Shubhajit Das et al.
Recent advances in alkaline earth (Ae) metal hydrogenation catalysis have broadened the spectrum of potential catalysts to include candidates from the main group, providing a sustainable alternative to the commonly used transition metals. A...
Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery [0.03%]
基于子群发现识别出色过渡金属合金异质催化剂用于氧还原和析出反应
Lucas Foppa,Luca M Ghiringhelli
Lucas Foppa
In order to estimate the reactivity of a large number of potentially complex heterogeneous catalysts while searching for novel and more efficient materials, physical as well as data-centric models have been developed for a faster evaluation...
Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis [0.03%]
均相和多相催化中的自主反应网络探索方法
Miguel Steiner,Markus Reiher
Miguel Steiner
Autonomous computations that rely on automated reaction network elucidation algorithms may pave the way to make computational catalysis on a par with experimental research in the field. Several advantages of this approach are key to catalys...
Closer Look at Inverse Electron Demand Diels-Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling Methods [0.03%]
利用增强采样方法研究s-四氮唑的逆电子需求狄尔斯-阿尔德和亲核加成反应
Rangsiman Ketkaew,Fabrizio Creazzo,Sandra Luber
Rangsiman Ketkaew
Inverse electron demand [4+2] Diels-Alder (iEDDA) reactions as well as unprecedented nucleophilic (azaphilic) additions of R-substituted silyl-enol ethers (where R is Phenyl, Methyl, and Hydrogen) to 1,2,4,5-tetrazine (s-tetrazine) catalyze...
Electrocatalytic Determination of Hydroxychloroquine Using Sodium Dodecyl Sulphate Modified Carbon Nanotube Paste Electrode [0.03%]
十二烷基硫酸钠修饰碳纳米管糊状电极的羟氯喹电催化检测
P A Pushpanjali,J G Manjunatha,N Hareesha et al.
P A Pushpanjali et al.
Selective, sensitive, easy, and fast voltammetric techniques were developed for the analysis of Hydroxychloroquine (HCQ). These analysis were carried out at sodium dodecyl sulphate modified carbon nanotube paste electrode (SDSMCNTPE) using ...
Marin Nikolic,Luke Daemen,Anibal J Ramirez-Cuesta et al.
Marin Nikolic et al.
Sorption enhanced methanol production makes use of the equilibrium shift of the CO 2 hydrogenation reaction towards the desired products. However, the increased complexity of the catalyst system leads to additional reactions and thus side ...
Ji Su,Jiaxu Liu
Ji Su
Valeria Di Sarli,Caixia Qi
Valeria Di Sarli
Vicente Rodríguez-González,Sergio Obregón,Ana P Rozo
Vicente Rodríguez-González