Hybrid DFT study of the hyperfine coupling constants of methyl radicals in model matrix lattices
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference8 articles.
1. Ab initiostudy of the CH3+O2 reaction: Kinetics, mechanism and product branching probabilities
2. Electron Spin Resonance of Atomic and Molecular Free Radicals Trapped at Liquid Helium Temperature
3. A Direct Ab Initio Dynamics Study on the Finite Temperature Effects on the Hyperfine Coupling Constant of a Weakly Bonded Complex
4. Ab initio molecular dynamics (MD) calculations of hyperfine coupling constants of methyl radical
5. A direct ab initio molecular dynamics study of the finite temperature effects on the hyperfine coupling constant of methyl radical–water complexes
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1. Electron Paramagnetic Resonance Spectroscopic Study on Nonequilibrium Reaction Pathways in the Photolysis of Solid Nitromethane (CH3NO2) and D3-Nitromethane (CD3NO2);The Journal of Physical Chemistry A;2016-02-25
2. EPR study of methyl radical in van-der-Waals solids;Physica B: Condensed Matter;2014-05
3. Monomer- and polymer radicals of vinyl compounds: EPR and DFT studies of geometric and electronic structures in the adsorbed state;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2012-12
4. Hyperfine Coupling in Methyl Radical Isotopomers;The Journal of Physical Chemistry A;2007-10-01
5. DFT calculations of EPR parameters in an ionic lattice of [M(CN)(4)](3-) (M = Ni, Pd, Fe, Ru, Os) complexes;J PHYS CHEM A;2007
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