Works in Advanced Theory & Simulations, 2020, Vol 3, Issue 12
Results: 14
Theoretical Analysis of a 2D Metallic/Semiconducting Transition‐Metal Dichalcogenide NbS<sub>2</sub>//WSe<sub>2</sub> Hybrid Interface.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000164
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- Article
Suppression of Groups Intermingling as an Appealing Option for Flattening and Delaying the Epidemiological Curve While Allowing Economic and Social Life at a Bearable Level during the COVID‐19 Pandemic.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000132
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Masthead (Adv. Theory Simul. 12/2020).
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202070028
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- Article
Metal–Organic Frameworks: On the Role of Enthalpic and Entropic Contributions to the Conformational Free Energy Landscape of MIL‐101(Cr) Secondary Building Units (Adv. Theory Simul. 12/2020).
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202070027
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Time‐Dependent Density Functional Theory of Narrow Band Gap Semiconductors Using a Screened Range‐Separated Hybrid Functional.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000220
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Dirac Fermions in Half‐Metallic Ferromagnetic Mixed Cr1−xM<sub>x</sub>PSe<sub>3</sub> Monolayers.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000228
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Double Atom Catalysts: Heteronuclear Transition Metal Dimer Anchored on Nitrogen‐Doped Graphene as Superior Electrocatalyst for Nitrogen Reduction Reaction.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000190
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Copper Dimer Anchored in g‐CN Monolayer as an Efficient Electrocatalyst for CO<sub>2</sub> Reduction Reaction: A Computational Study.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000218
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On the Role of Enthalpic and Entropic Contributions to the Conformational Free Energy Landscape of MIL‐101(Cr) Secondary Building Units.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000092
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Multi‐Band Tunable Chiral Metamaterial for Asymmetric Transmission and Absorption of Linearly Polarized Electromagnetic Waves.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000179
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Molecular Dynamics Simulations of Molten Magnesium Chloride Using Machine‐Learning‐Based Deep Potential.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000180
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A Theoretical Framework for Ratiometric Single Ion Luminescent Thermometers—Thermodynamic and Kinetic Guidelines for Optimized Performance.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000176
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Vibrational Spectra of the OH Radical in Water: Ab Initio Molecular Dynamics Simulations and Quantum Chemical Calculations Using Hybrid Functionals.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000174
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Adaptive Evolution of Peptide Inhibitors for Mutating SARS‐CoV‐2.
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- Advanced Theory & Simulations, 2020, v. 3, n. 12, p. 1, doi. 10.1002/adts.202000156
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- Article