EDITORIAL
Published on 29 Apr 2022
Editorial: From “Cosmic Cooking” to Chemistry of the Future: A Collective Dialogue on Chemistry as a Tribute to Prof. Sourav Pal.
doi 10.3389/fchem.2022.908165
- 1,161 views
- Frontiers in Chemistry
- Theoretical and Computational Chemistry
- Research Topics
- Celebrating the Work of Prof. Sourav Pal: Computational Approaches in Catalysis
Celebrating the Work of Prof. Sourav Pal: Computational Approaches in Catalysis
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Articles
ORIGINAL RESEARCH
Published on 04 Feb 2022
On the Endocircular Li@C16 System
doi 10.3389/fchem.2022.813563
- 1,727 views
- 1 citation
ORIGINAL RESEARCH
Published on 21 Jan 2022
Nitrogen Fixation at the Edges of Boron Nitride Nanomaterials: Synergy of Doping
doi 10.3389/fchem.2021.799903
- 2,341 views
- 7 citations
ORIGINAL RESEARCH
Published on 25 Nov 2021
Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
doi 10.3389/fchem.2021.790416
- 1,670 views
- 1 citation
ORIGINAL RESEARCH
Published on 19 Nov 2021
Unraveling the Effect of Aromatic Groups in Mn(I)NNN Pincer Complexes on Carbon Dioxide Activation Using Density Functional Study
doi 10.3389/fchem.2021.778718
- 2,777 views
- 10 citations
ORIGINAL RESEARCH
Published on 18 Oct 2021
Fate of Sc-Ion Interaction With Water: A Computational Study to Address Splitting Water Versus Solvating Sc Ion
doi 10.3389/fchem.2021.738852
- 3,164 views
- 6 citations
ORIGINAL RESEARCH
Published on 16 Sep 2021
Data-Driven Discovery of 2D Materials for Solar Water Splitting
doi 10.3389/fmats.2021.679269
- 3,859 views
- 14 citations
ORIGINAL RESEARCH
Published on 08 Sep 2021
Role of Chemical Structure of Support in Enhancing the Catalytic Activity of a Single Atom Catalyst Toward NRR: A Computational Study
doi 10.3389/fchem.2021.733422
- 1,586 views
- 6 citations
REVIEW
Published on 16 Jul 2021
Recent Progress in (Photo-)-Electrochemical Conversion of CO2 With Metal Porphyrinoid-Systems
doi 10.3389/fchem.2021.685619
- 5,752 views
- 17 citations
ORIGINAL RESEARCH
Published on 09 Jul 2021
Gold-Catalyzed Complementary Nitroalkyne Internal Redox Process: A DFT Study
doi 10.3389/fchem.2021.689780
- 1,731 views
- 2 citations
ORIGINAL RESEARCH
Published on 18 Jun 2021
Insights Into Chemical Reactions at the Beginning of the Universe: From HeH+ to H3+
doi 10.3389/fchem.2021.679750
- 2,918 views
- 2 citations
ORIGINAL RESEARCH
Published on 24 May 2021
Band Gap Reduction in Ferroelectric BaTiO3 Through Heterovalent Cu-Te Co-Doping for Visible-Light Photocatalysis
doi 10.3389/fchem.2021.682979
- 4,434 views
- 17 citations
Published in
Frontiers in Chemistry
Catalysis and Photocatalysis
OfflineTheoretical and Computational Chemistry
Chemical Physics and Physical Chemistry
Participating Journals
Frontiers in Physics
- 1.9 impact factor
- 4.5 citescore