- An ab initio and AIM investigation into the hydration of 2-thioxanthineXiu Xiang Yuan
Faculty of Chemistry, Sichuan University, Chengdu, 610064, PR China
Chem Cent J 4:6. 2010..After formation of H-bonds, the calculated IR and NMR spectra of the 2TX-water complexes change greatly, which serves to identify the hydration of 2TX...
- A theoretical exploration of unexpected amine···π interactionsTing Yang
College of Chemistry, Sichuan University, Chengdu, 610064, China
Phys Chem Chem Phys 14:10747-53. 2012..Dispersion effects were revealed to play a crucial role in the attractive lone pair···π interaction...