ORIGINAL RESEARCH
Published on 10 Sep 2019
Mechanistic Studies of CO2 Cycloaddition Reaction Catalyzed by Amine-Functionalized Ionic Liquids
doi 10.3389/fchem.2019.00615
- 4,934 views
- 23 citations
- Frontiers in Chemistry
- Theoretical and Computational Chemistry
- Research Topics
- Computational Chemistry in Homogeneous Catalysis
Computational Chemistry in Homogeneous Catalysis
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Articles
ORIGINAL RESEARCH
Published on 06 Sep 2019
Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights From DFT Calculations
doi 10.3389/fchem.2019.00609
- 2,054 views
- 4 citations
ORIGINAL RESEARCH
Published on 03 Sep 2019
Mechanistic Features in Al(I)-Mediated Oxidative Addition of Aryl C–F Bonds: Insights From Density Functional Theory Calculations
doi 10.3389/fchem.2019.00596
- 2,135 views
- 11 citations
ORIGINAL RESEARCH
Published on 23 Aug 2019
Catalyst-Dependent Chemoselectivity in the Dirhodium-Catalyzed Cyclization Reactions Between Enodiazoacetamide and Nitrosoarene: A Theoretical Study
doi 10.3389/fchem.2019.00586
- 2,053 views
- 7 citations
ORIGINAL RESEARCH
Published on 06 Aug 2019
Mechanistic Insight Into the AuCN Catalyzed Annulation Reaction of Salicylaldehyde and Aryl Acetylene: Cyanide Ion Promoted Umpolung Hydroacylation/Intramolecular Oxa-Michael Addition Mechanism
doi 10.3389/fchem.2019.00557
- 3,179 views
- 3 citations
ORIGINAL RESEARCH
Published on 18 Jun 2019
Theoretical Insights Into the Depolymerization Mechanism of Lignin to Methyl p-hydroxycinnamate by [Bmim][FeCl4] Ionic Liquid
![Theoretical Insights Into the Depolymerization Mechanism of Lignin to Methyl p-hydroxycinnamate by [Bmim][FeCl4] Ionic Liquid](https://www.frontiersin.org/files/myhome article library/454623/454623_Thumb_400.jpg)
doi 10.3389/fchem.2019.00446
- 3,106 views
- 22 citations
ORIGINAL RESEARCH
Published on 27 Mar 2019
Key Mechanistic Features in Palladium-Catalyzed Methylcyclopropanation of Norbornenes With Vinyl Bromides: Insights From DFT Calculations
doi 10.3389/fchem.2019.00169
- 2,860 views
- 5 citations
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Frontiers in Chemistry
- Theoretical and Computational Chemistry
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