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Masthead (Adv. Theory Simul. 3/2019).
- Published in:
- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201970009
- Publication type:
- Article
Computational Materials Science: Discovering and Accelerating Future Technologies.
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- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201900023
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- Publication type:
- Article
Mixing Thermodynamics and Photocatalytic Properties of GaP–ZnS solid solutions.
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- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800146
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- Publication type:
- Article
Predictions of Thermo‐Mechanical Properties of Cross‐Linked Polyacrylamide Hydrogels Using Molecular Simulations.
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- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800153
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- Article
Hydrogen Evolution Reaction: Unraveling the Factors Behind the Efficiency of Hydrogen Evolution in Endohedrally Doped C<sub>60</sub> Structures via Ab Initio Calculations and Insights from Machine Learning Models (Adv. Theory Simul. 3/2019).
- Published in:
- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800202
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- Article
Unraveling the Factors Behind the Efficiency of Hydrogen Evolution in Endohedrally Doped C<sub>60</sub> Structures via Ab Initio Calculations and Insights from Machine Learning Models.
- Published in:
- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800202
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- Publication type:
- Article
Toward Computational Design of Catalysts for CO<sub>2</sub> Selective Reduction via Reaction Phase Diagram Analysis.
- Published in:
- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800200
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- Publication type:
- Article
The Contacts of the Monolayer Semiconductor C<sub>2</sub>N with 2D Metal Electrodes.
- Published in:
- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800161
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- Publication type:
- Article
Ion Conductivity Enhancement in Anti‐Spinel Li<sub>3</sub>OBr with Intrinsic Vacancies.
- Published in:
- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800138
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- Publication type:
- Article
Electrocatalytic Reduction of Carbon Dioxide to Methane on Single Transition Metal Atoms Supported on a Defective Boron Nitride Monolayer: First Principle Study.
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- Advanced Theory & Simulations, 2019, v. 2, n. 3, p. N.PAG, doi. 10.1002/adts.201800094
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- Article