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Ultrafast Photodissociation Dynamics of Pyrazole, Imidazole and their Deuterated Derivatives using Ab Initio Multiple Cloning
2019
Physical Chemistry, Chemical Physics - PCCP
Preserved Fulltext
We present results obtained using the ab initio multiple cloning (AIMC) method to simulate fully quantum dynamics for imidazole and its structural isomer pyrazole along with their selectively deuterated species....
doi:10.1039/c9cp00039a
fatcat:3wa4dbgxprcptl2uvzgks7xeue