News Articles Tagged: Structure Prediction

Computational Chemistry and Molecular Dynamics for Understanding Chrysene, Octadecahydro-'s Behavior

Explore how computational chemistry and molecular dynamics simulations are used to predict the structure, conformation, and interactions of Chrysene, octadecahydro-.

Computational Insights: Modeling the Electronic Structure and Reactivity of Bis(8-Quinolinoiato)zinc

Explore how computational methods like DFT are used to understand the electronic structure, predict reactivity, and optimize the performance of Bis(8-Quinolinoiato)zinc in various applications. Insights from NINGBO INNO PHARMCHEM CO.,LTD.