Original Research
Published on 30 Mar 2021
Bypassing Energy Barriers in Fiber-Polymer Torrefaction
in Bioenergy and Biofuels
Frontiers in Energy Research
doi 10.3389/fenrg.2021.643371
- 3,803 views
- 10 citations
19 articles related to "Energy Barriers"
Articles
Original Research
Published on 20 Mar 2023
Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo2C toward the reverse water–gas shift reaction
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2023.1144189
- 5,821 views
- 13 citations
Perspective
Published on 28 Feb 2020
Building High Power Density of Sodium-Ion Batteries: Importance of Multidimensional Diffusion Pathways in Cathode Materials
in Electrochemistry
Frontiers in Chemistry
doi 10.3389/fchem.2020.00152
- 18,073 views
- 47 citations
Review
Published on 03 Sep 2015
Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review
in Computational Physiology and Medicine
Frontiers in Bioengineering and Biotechnology
doi 10.3389/fbioe.2015.00125
- 6,141 views
- 25 citations
Review
Published on 07 Apr 2022
Rigidity and Flexibility in Rotaxanes and Their Relatives; On Being Stubborn and Easy-Going
in Supramolecular Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2022.856173
- 8,162 views
- 25 citations
Original Research
Accepted on 05 Jan 2026
Parametrizing reaction probabilities for proton transfers in protic ionic liquids
in Inorganic Chemistry
Frontiers in Chemistry
- 280 views
Original Research
Published on 20 Dec 2021
Temperature and Stress Dependence of Screw Dislocation Mobility in Nb-V-Ta Alloys Using Kinetic Monte Carlo Simulations
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.801141
- 3,286 views
- 7 citations
Methods
Published on 08 Feb 2023
Engineering the kinetic stability of a β-trefoil protein by tuning its topological complexity
in Structural Biology
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1021733
- 3,940 views
- 1 citation
Original Research
Published on 15 Feb 2016
Characteristics of Sucrose Transport through the Sucrose-Specific Porin ScrY Studied by Molecular Dynamics Simulations
in Synthetic Biology
Frontiers in Bioengineering and Biotechnology
doi 10.3389/fbioe.2016.00009
- 9,140 views
- 17 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
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2019.00596
- 4,008 views
- 14 citations
Original Research
Published on 13 Sep 2019
Computational Prediction of Ammonia-Borane Dehydrocoupling and Transfer Hydrogenation of Ketones and Imines Catalyzed by SCS Nickel Pincer Complexes
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2019.00627
- 3,935 views
- 11 citations
Original Research
Published on 21 Sep 2021
The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases
in Antimicrobials, Resistance and Chemotherapy
Frontiers in Microbiology
doi 10.3389/fmicb.2021.720991
- 6,701 views
- 14 citations
Original Research
Published on 05 Nov 2020
Modeling the Interactions Between Sodium Channels Provides Insight Into the Negative Dominance of Certain Channel Mutations
in Cardiac Electrophysiology
Frontiers in Physiology
doi 10.3389/fphys.2020.589386
- 5,887 views
- 12 citations
Original Research
Published on 14 Jun 2018
Comparison of Types and Amounts of Nanoscale Heterogeneity on Bacteria Retention
in Soil Processes
Frontiers in Environmental Science
doi 10.3389/fenvs.2018.00056
- 5,460 views
- 43 citations
Original Research
Published on 10 Jun 2014
Differences in conformational dynamics within the Hsp90 chaperone family reveal mechanistic insights
in Protein Folding, Misfolding and Degradation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2014.00004
- 7,217 views
- 39 citations
Original Research
Published on 30 Jun 2025
Computational prediction for the formation of amides and thioamides in the gas phase interstellar medium
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2025.1615586
- 4,104 views
- 1 citation