B3LYP, Hybrid Density Functional Studies of the Durosemiquinone Radical: The Effect of Symmetrical and Asymmetrical Hydrogen Bonding on Spin Densities and Hyperfine Couplings
O'Malley, Patrick J.Volume:
102
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp972467a
Date:
January, 1998
File:
PDF, 147 KB
english, 1998