Theoretical Analysis of Heteroaromatic Thioaminyl Radicals. Part 1: A Comparison of Ab Initio and Density Functional Methods in Calculations of Molecular Geometry and Isotropic Hyperfine Coupling Constants
- 25 July 2001
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 105 (32) , 7615-7625
- https://doi.org/10.1021/jp003459o
Abstract
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