Towards the truly nonempirical computation of hyperfine interactions: A contribution to the debate on thet-butyl radical
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference24 articles.
1. On the structure of the tertiary butyl radical: anab initioinvestigation
2. Origin of the pyramidalization of the tert-butyl radical
3. Theoretical studies on the structure of isobutane and the tertiary‐butyl radical
4. Lack of orbital following: Its significance in the interpretation of EPR data
5. Chapter 7. Electron spin resonance spectroscopy
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1. Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals;The Journal of Physical Chemistry A;2011-03-11
2. The calculation of NMR and ESR spectroscopy parameters using density functional theory;Theoretical and Computational Chemistry;1995
3. The effects of nonlocal gradient corrections in density functional calculations of hydrocarbon radical hyperfine structures;International Journal of Quantum Chemistry;1994-11-05
4. A comparative study of the performance of Dewar's semiempirical methods to compute electron spin resonance hyperfine coupling constants;Journal of Molecular Structure: THEOCHEM;1993-06
5. On the reliability of MINDO/3, MNDO and AM1 radical geometries for the computation of INDO electron spin resonance hyperfine coupling constants;Journal of Molecular Structure: THEOCHEM;1993-04
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