ArticleChemical science2017
An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis.
Article in Chemical science, 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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
16 citing papers in PubMed.
- Two P, Ten P, White P, Red P: Mechanistic Exploration of the Oligomerization of Red Phosphorus from Diphosphorus with the Ab Initio Nanoreactor.Inorganic chemistry · 2024Article
- Reactant Discovery with anACS earth & space chemistry · 2024Article
- Solving the OH + Glyoxal Problem: A Complete Theoretical Description of Post-Transition-State Energy Deposition in Activated Systems.The journal of physical chemistry. A · 2024Article
- Barrier Height Prediction by Machine Learning Correction of Semiempirical Calculations.The journal of physical chemistry. A · 2023Article
- ReNeGate: A Reaction Network Graph-Theoretical Tool for Automated Mechanistic Studies in Computational Homogeneous Catalysis.Journal of chemical theory and computation · 2022Article
- Graph-Driven Reaction Discovery: Progress, Challenges, and Future Opportunities.The journal of physical chemistry. A · 2022Review
- Article
- Discovering surface reaction pathways using accelerated molecular dynamics and network analysis tools.RSC advances · 2022Article
- New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited.ACS physical chemistry Au · 2022Article
- Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous Catalysis.Topics in catalysis · 2022Article
- Nucleation mechanisms and speciation of metal oxide clusters.Chemical science · 2020Article
- Direct Dynamics Simulations of the Thermal Fragmentation of a Protonated Peptide Containing Arginine.ACS omega · 2020Article
- Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.Chemical reviews · 2019Article
- A Trajectory-Based Method to Explore Reaction Mechanisms.Molecules (Basel, Switzerland) · 2018Review
- Efficient prediction of reaction paths through molecular graph and reaction network analysis.Chemical science · 2018Article
- Mechanisms, Challenges, and Opportunities of Dual Ni/Photoredox-Catalyzed C(spWiley interdisciplinary reviews. Computational molecular scienceArticle
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A novel computational method is proposed in this work for use in discovering reaction mechanisms and solving the kinetics of transition metal-catalyzed reactions. The method does not rely on either chemical intuition or assumed
Identifiers
What OpenQuestion holds
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.