Observations of the Effect of Confined Space on Fluorescence and Diffusion Properties of Molecules in Single Conical Nanopore Channels

Trends of the bonding effect on the perf

Trends of the bonding effect on the performance of DFT methods in electric properties calculations: A pattern recognition and metric space approach on some XY2 (X = O, S and Y = H, O, F, S, Cl) molecules

✍ Christos Christodouleas; Demetrios Xenides; Theodore E. Simos 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 163 KB

## Abstract A test set of 10 molecules (open and ring forms of ozone and sulfur dioxide as well as water and hydrogen sulfide and their respective fluoro‐ and chloro‐substituted analogs) of specific atmospheric interest has been formed as to assess the performance of various density functional theo