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First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li- and Na-Ion Batteries Involving Complex Nitrogen-Based Anions | Chemistry of Materials
Enhanced Optical Responses of Au@Pd Core/Shell Nanobars | Langmuir
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The Surface Structure of Cu2O(100): Nature of Defects | The Journal of Physical Chemistry C
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Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials | The Journal of Physical Chemistry A
Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory | Journal of Chemical Theory and Computation
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Glycerol Monooleate Reverse Micelles in Nonpolar Solvents: Computer Simulations and Small-Angle Neutron Scattering | The Journal of Physical Chemistry B
Simulation Studies on Improved Separation of Helium and Helium Isotopes by Strain Modulated r-N-GY Monolayer Nanostructure | ACS Applied Nano Materials
Theory of Anisotropic Metal Nanostructures | Chemical Reviews
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Density Matrix Renormalization Group for Transcorrelated Hamiltonians: Ground and Excited States in Molecules | Journal of Chemical Theory and Computation
Theoretical Insights into the Effects of KOH Concentration and the Role of OH– in the Electrocatalytic Reduction of CO2 on Au | ACS Catalysis
