Nature

Computational Chemistry and Density Functional Theory

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...
C&EN

Density functional theory heads the wrong way

Density functional theory (DFT) is a widely used computational method for carrying out quantum calculations in chemistry, materials science, and biology research. Despite its enormous popularity and ...
C&EN

Density: Sink and Float for Liquids

Note: This video is designed to help the teacher better understand the lesson and is NOT intended to be shown to students. It includes observations and conclusions that students are meant to make on ...
科学技術振興機構

[Junji Seino] Developments of next-generation density functional theory and reaction prediction system under homogeneous catalysts based on quantum chemistry and informatics

In this project, I perform two researches based on informatics and quantum chemistry. First research is to construct an exact kinetic energy functional in the density functional theory (DFT), which is ...
JSTOR Daily

Nondestructive Assessment of Leaf Chemistry and Physiology through Spectral Reflectance Measurements May Be Misleading When Changes in Trichome Density Co-Occur

• Reflectance indices are frequently used for the nondestructive assessment of leaf chemistry, especially pigment content, in environmental or developmental studies. Since reflectance spectra are ...