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Journal Paper: Equiatomic binary phases of Copper-Rare Earth Elements. An overview of monocuprides from first-principles calculations

Equiatomic binary phases of Copper-Rare Earth Elements. An overview of monocuprides from first-principles calculations

15 Jan 2024

Devamı

Journal Paper: NICE-FF: A non-empirical, intermolecular, consistent, and extensible force field for nucleic acids and beyond

NICE-FF: A non-empirical, intermolecular, consistent, and extensible force field for nucleic acids and beyond

15 Jan 2024

Devamı

Journal Paper: Makale: Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines

Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines

15 Jan 2024

Devamı

Journal Paper: Light-Harvesting Lead-Free Mixed Cation Hybrid Halide Perovskites: A Density Functional Theory-Based Computational Screening Study

Light-Harvesting Lead-Free Mixed Cation Hybrid Halide Perovskites: A Density Functional Theory-Based Computational Screening Study

15 Jan 2024

Devamı

Journal Paper: Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study

Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study

15 Jan 2024

Devamı

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