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TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4
American Chemical Society | 2017| -
On the mechanism of electrochemical ammonia synthesis on the Ru catalyst
National licenceRoyal Society of Chemistry | 2016| -
Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention
Free accessAmerican Chemical Society | 2021| -
A local environment descriptor for machine-learned density functional theory at the generalized gradient approximation level
American Institute of Physics | 2018| -
Analytical Double-Hybrid Density Functional Based on the Polynomial Series Expansion of Adiabatic Connection: A Quadratic Approximation
American Chemical Society | 2015| -
Artificial neural network for the configuration problem in solids
American Institute of Physics | 2017| -
Can Metal–Organic Framework Separate 1‑Butene from Butene Isomers?
American Chemical Society | 2014| -
Carbon nanofluidics of rapid water transport for energy applications
National licenceRoyal Society of Chemistry | 2013| -
Two-Dimensional Transition Metal Dichalcogenide Monolayers as Promising Sodium Ion Battery Anodes
American Chemical Society | 2015| -
Computational exploration of borophane-supported single transition metal atoms as potential oxygen reduction and evolution electrocatalysts
Royal Society of Chemistry | 2018| -
A generalized-template-based graph neural network for accurate organic reactivity prediction
Springer Verlag | 2022| -
Classifying Intermetallic Tetragonal Phase of All-d-Metal Heusler Alloys for Catalysis Applications
Online Contents | 2021| -
Assessing the Extrapolation Capability of Template-Free Retrosynthesis Models
Free accessArXiv | 2024| -
Method of Screening Catalyst by Shifting Scaling Relations
Free accessEuropean Patent Office | 2023| -
Classifying Intermetallic Tetragonal Phase of All-d-Metal Heusler Alloys for Catalysis Applications
Springer Verlag | 2022|
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