ArticleAccounts of chemical research2017
Catalysts by Design: The Power of Theory.
Article in Accounts of chemical research, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
16 citing papers in PubMed.
- Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts.Chemical science · 2024Article
- Review
- Mechanism-Based Redesign of GAP to Activate Oncogenic Ras.Journal of the American Chemical Society · 2023Article
- Review on Magnetism in Catalysis: From Theory to PEMFC Applications ofInternational journal of molecular sciences · 2022Review
- Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Ultrasmall, Coating-Free, Pyramidal Platinum Nanoparticles for High Stability Fuel Cell Oxygen Reduction.ACS applied materials & interfaces · 2022Article
- Enhancing computational enzyme design by a maximum entropy strategy.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Metal-to-Metal Distance Modulation by Ligand Design: A Case Study of Structure-Property Correlation in Planar Chiral Cyclophanyl Metal Complexes.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
- Article
- Association Equilibria of Organo-Phosphoric Acids with Imines from a Combined Dielectric and Nuclear Magnetic Resonance Spectroscopy Approach.Analytical chemistry · 2021Article
- Quantum-mechanical transition-state model combined with machine learning provides catalyst design features for selective Cr olefin oligomerization.Chemical science · 2020Article
- Hierarchy of Commonly Used DFT Methods for Predicting the Thermochemistry of Rh-Mediated Chemical Transformations.ACS omega · 2019Article
- Article
- Application of Q2MM to predictions in stereoselective synthesis.Chemical communications (Cambridge, England) · 2018Article
- Keeping Track of the Electrons.Accounts of chemical research · 2018Article
- Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis.ACS central science · 2018Review
Corrections and comments
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Authors and funding
1 author.
Funding
Abstract
Theoretical design of effective catalysts, in conjunction with the identification of guiding design principles and strategies, is a Holy Grail in Chemistry. Although further progress will benefit from additional computational advances, theoretical studies have already enhanced the design of molecular electrocatalysts, photocatalysts, and enzymes.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.