Activation of methane and its conversion to added-value products is an important topic which requires chemical solutions with high yields and selectivity. In our recent collaborative study, we present the oxidation of methane to methanol using nitrogen dioxide as a …
We report global potential energy surfaces (PESs) database VIB5 of 5 molecules of astrophysical interest which was used to produce rovibrational spectra approaching spectroscopic accuracy and contains state-of-the-art, high-level energies and energy gradients. This database can be used to develop …
Fuchun Ge, Ran Wang, and Linqiang Wei join our group starting this month. Welcome! Fuchun officially joins our group as a PhD student. He has just finished his master in analytical chemistry. Before that he already made significant contribution to …
The group of Dr. Pavlo Dral in College of Chemistry and Chemical Engineering at Xiamen University has PhD and Master positions starting from fall 2022. Our group focuses on the application of machine learning in quantum chemistry and projects focusing …