Structure and binding in halide perovskites: Analysis of static and dynamic effects from dispersion-corrected density functional theory
Sign Up to like & getrecommendations! Published in 2019 at "APL Materials"
DOI: 10.1063/1.5086541
Abstract: We investigate the impact of various levels of approximation in density functional theory calculations for the structural and binding properties of the prototypical halide perovskite MAPbI3. Specifically, we test how the inclusion of different correction… read more here.
Keywords: density functional; density; structural binding; functional theory ... See more keywords
Structural, Binding and Functional Properties of Milk Protein-Polyphenol Systems: A Review
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28052288
Abstract: Polyphenols (PP) are linked to health benefits (e.g., prevention of cancer, cardiovascular disease and obesity), which are mainly attributed to their antioxidant activity. During digestion, PP are oxidised to a significant degree reducing their bio-functionality.… read more here.
Keywords: structural binding; binding functional; protein systems; milk protein ... See more keywords