Theoretical insight into charging process in a Li3PO4 (100)/LiFePO4 (010) coherent interface system

A theoretical insight into the photophysics of psoralen.

Psoralen photophysics has been studied on quantum chemistry grounds using the multiconfigurational second-order perturbation method CASPT2. Absorption and emission spectra of the system have been rationalized by computing the energies and properties of the low-lying singlet and triplet excited states. The S1 pipi* state has been determined to be responsible of the lowest absorption and fluoresc...

A New Insight into Prediction Modeling System

Data mining and forecasting has attracted a lot of research interests in time series data sequence. The paper brings a new insight in how to select different time series forecasting models to make prediction according to different situations and data patterns. The contribution of this research is to facilitate prediction modeling system design for extensive forecasting purpose.

Insight into Kansei Color Combinations in Interactive User Interface Designing

Color has a major impact on Human Computer Interaction. Although there is a very thin line between appropriate and inappropriate use of color, if used properly, color can be a powerful tool to improve the usefulness of an interactive interface in a wide variety of areas. On the contrary the excessive or inappropriate use of color can severely hinder the functionality and usability of an interfa...

Mitophagy: New Insight into the Cardiovascular Aging  

Theoretical insight into the antioxidant properties of melatonin and derivatives.

Density functional theory calculations on melatonin, metabolites and synthetic derivatives thereof, and a range of other biological antioxidant molecules are presented, with a view to understanding the antioxidant ability of these molecules. After testing of the necessary calculations, we show that melatonin lies close to vitamin E on a donor-acceptor map, indicating that it should be an excell...