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Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors by unknow
pdf | | 0101-01-01 | Author:unknow

( Category: other July 25,2024 )
Comprehensive Stereochemical Models for Selectivity Prediction in Diverse Chiral Phosphate-Catalyzed Reaction Space by Ali Shoja Jianyu Zhai & Jolene P. Reid
pdf | | 0101-01-01 | Author:Ali Shoja, Jianyu Zhai & Jolene P. Reid

( Category: other July 25,2024 )
A Machine Learning Model To Predict CO2 Reduction Reactivity and Products Transferred from Metal-Zeolites by Qin Zhu Yuming Gu Xinyi Liang Xinzhu Wang & Jing Ma
pdf | | 0101-01-01 | Author:Qin Zhu, Yuming Gu, Xinyi Liang, Xinzhu Wang & Jing Ma

( Category: other July 25,2024 )
Tafel Analysis Predicts Cooperative Redox Enhancement Effects in Thermocatalytic Alcohol Dehydrogenation by Bohyeon Kim Isaac Daniel Mark Douthwaite Samuel Pattisson Graham J. Hutchings & Steven McIntosh
pdf | | 0101-01-01 | Author:Bohyeon Kim, Isaac Daniel, Mark Douthwaite, Samuel Pattisson, Graham J. Hutchings & Steven McIntosh

( Category: other July 25,2024 )
Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning by Nongnuch Artrith Zhexi Lin & Jingguang G. Chen
pdf | | 0101-01-01 | Author:Nongnuch Artrith, Zhexi Lin & Jingguang G. Chen

( Category: other July 25,2024 )
Predicting the Stability of Single-Atom Catalysts in Electrochemical Reactions by Giovanni Di Liberto Livia Giordano & Gianfranco Pacchioni
pdf | | 0101-01-01 | Author:Giovanni Di Liberto, Livia Giordano & Gianfranco Pacchioni

( Category: other July 25,2024 )
Predictive Model for the [Rh2(esp)2]-Catalyzed Intermolecular C(sp3)–H Bond Insertion of β-Carbonyl Ester Carbenes: Interplay between Theory and Experiment by Brett D. McLarney Steven Hanna Djamaladdin G. Musaev & Stefan France
pdf | | 0101-01-01 | Author:Brett D. McLarney, Steven Hanna, Djamaladdin G. Musaev & Stefan France

( Category: other July 25,2024 )
Density Functional Theory-Based Method to Predict the Activities of Nanomaterials as Peroxidase Mimics by Xiaomei Shen Zhenzhen Wang Xingfa Gao & Yuliang Zhao
pdf | | 0101-01-01 | Author:Xiaomei Shen, Zhenzhen Wang, Xingfa Gao & Yuliang Zhao

( Category: other July 25,2024 )
Kinetic Isotope Effects: Interpretation and Prediction Using Degrees of Rate Control by Zhongtian Mao & Charles T. Campbell
pdf | | 0101-01-01 | Author:Zhongtian Mao & Charles T. Campbell

( Category: other July 25,2024 )
Data Analytics for Catalysis Predictions: Are We Ready Yet? by unknow
pdf | | 0101-01-01 | Author:unknow

( Category: other July 25,2024 )
Moving from Fundamental Knowledge of Kinetics and Mechanisms on Surfaces to Prediction of Catalyst Performance in Reactors by Christian Reece & Robert J. Madix
pdf | | 0101-01-01 | Author:Christian Reece & Robert J. Madix

( Category: Citizenship July 25,2024 )
Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity by Wenbin Xu Mie Andersen & Karsten Reuter
pdf | | 0101-01-01 | Author:Wenbin Xu, Mie Andersen & Karsten Reuter

( Category: other July 25,2024 )
Cation Effects on the Adsorbed Intermediates of CO2 Electroreduction Are Systematic and Predictable by Elizabeth Sargeant Paramaconi Rodriguez & Federico Calle-Vallejo
pdf | | 0101-01-01 | Author:Elizabeth Sargeant, Paramaconi Rodriguez & Federico Calle-Vallejo

( Category: other July 25,2024 )
Is Direct DME Synthesis Superior to Methanol Production in Carbon Dioxide Valorization? From Thermodynamic Predictions to Experimental Confirmation by Dustin Kubas Malte Semmel Ouda Salem and Ingo Krossing
pdf | | 2023-03-09 | Author:Dustin Kubas, Malte Semmel, Ouda Salem, and Ingo Krossing

( Category: Mathematics July 25,2024 )
Predicting the Stability and Loading for Electrochemical Preparation of Single-Atom Catalysts by Jingwen Zhou Yuyang Liu Dong-Rui Yang Ling Liu Xing-Hua Xia and Chungen Liu
pdf | | 2022-12-28 | Author:Jingwen Zhou, Yuyang Liu, Dong-Rui Yang, Ling Liu, Xing-Hua Xia, and Chungen Liu

( Category: other July 25,2024 )

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