ORIGINAL RESEARCH
Published on 16 Sep 2020
Ruthenium(II)-Catalyzed Homocoupling of α-Carbonyl Sulfoxonium Ylides Under Mild Conditions: Methodology Development and Mechanistic DFT Study
doi 10.3389/fchem.2020.00648
- 3,353 views
- 4 citations
- Frontiers in Chemistry
- Theoretical and Computational Chemistry
- Research Topics
- Theoretical and Computational Chemistry Editor’s Pick 2021
Theoretical and Computational Chemistry Editor’s Pick 2021
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Articles
ORIGINAL RESEARCH
Published on 20 Aug 2020
Theoretical Study on the Structural-Function Relationship of Manganese(III)-Iodosylarene Adducts
doi 10.3389/fchem.2020.00744
- 1,831 views
- 9 citations
ORIGINAL RESEARCH
Published on 07 Aug 2020
A Ti-MOF Decorated With a Pt Nanoparticle Cocatalyst for Efficient Photocatalytic H2 Evolution: A Theoretical Study
doi 10.3389/fchem.2020.00660
- 3,911 views
- 8 citations
ORIGINAL RESEARCH
Published on 16 Apr 2019
λ-Density Functional Valence Bond: A Valence Bond-Based Multiconfigurational Density Functional Theory With a Single Variable Hybrid Parameter
doi 10.3389/fchem.2019.00225
- 2,978 views
- 14 citations
ORIGINAL RESEARCH
Published on 09 Apr 2019
Role of Second Quinone Binding Site in Proton Pumping by Respiratory Complex I
doi 10.3389/fchem.2019.00221
- 4,825 views
- 41 citations
ORIGINAL RESEARCH
Published on 18 Feb 2019
Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery—Construction of a Diversity-Optimized Halogen-Enriched Fragment Library
doi 10.3389/fchem.2019.00009
- 5,324 views
- 44 citations
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Frontiers in Chemistry
- Theoretical and Computational Chemistry
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