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Category: Chemical Physics Letters

Theoretical Prediction of the Catalytic Efficiency of Non-metalated Pincer-like Phosphorus Compounds for the Hydrogenation of Carbon-monoxide with Ammonia-Borane

Theoretical Prediction of the Catalytic Efficiency of Non-metalated Pincer-like Phosphorus Compounds for the Hydrogenation of Carbon-monoxide with Ammonia-Borane

Publication date: Available online 28 February 2023Source: Chemical Physics LettersAuthor(s): Tamalika Ash, Soumadip Banerjee, Abhijit K. Das

Solid-liquid phase equilibrium for the hexamethylenetetramine–NH<sub>4</sub>Cl–H<sub>2</sub>O system: Solubility determination, model correlation and molecular simulation

Solid-liquid phase equilibrium for the hexamethylenetetramine–NH<sub>4</sub>Cl–H<sub>2</sub>O system: Solubility determination, model correlation and molecular simulation

Publication date: Available online 24 February 2023Source: Chemical Physics LettersAuthor(s): Kang Qiao, Jianxin Chen, Jian Han, Jihui Li, Huixin Zhang, Feng Dou, Jiahui Kan

Theoretical prediction of the influence of defects and atomic occupation on the elastic and electronic properties of NbSi<sub>2</sub> form the first-principles calculations

Theoretical prediction of the influence of defects and atomic occupation on the elastic and electronic properties of NbSi<sub>2</sub> form the first-principles calculations

Publication date: Available online 25 February 2023Source: Chemical Physics LettersAuthor(s): Quan Feng, Zhi-jie Li, Xudong Zhang, Feng Wang