Wednesday, June 17, 2015
Ballroom B (Lawrence Convention Center)
Chemical warfare agents are among the most toxic chemicals known. Using first-principles calculations, we have demonstrated how the hydrolysis of the warfare agent mimic DMNP proceeds on the Zr node of the MOF NU-1000, which may contribute to future rational design of MOFs for decomposition of chemical warfare agents.
Extended Abstracts:
- NAM24_PL.pdf (263.3KB) - Extended Abstract