Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study.
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Experimental and theoretical Electron Paramagnetic Resonance (EPR) study on the temperature-dependent structural changes of methylsulfanylmethane.Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds.Extension of the AMBER Force Field for Nitroxide Radicals and Combined QM/MM/PCM Approach to the Accurate Determination of EPR Parameters of DMPO-H in Solution.Constrained spin-density dynamics of an iron-sulfur complex: ferredoxin cofactor.A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.
P2860
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study.
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Complete structural and magnet ...... lycyl radical as a case study.
@en
Complete structural and magnet ...... lycyl radical as a case study.
@nl
type
label
Complete structural and magnet ...... lycyl radical as a case study.
@en
Complete structural and magnet ...... lycyl radical as a case study.
@nl
prefLabel
Complete structural and magnet ...... lycyl radical as a case study.
@en
Complete structural and magnet ...... lycyl radical as a case study.
@nl
P2860
P356
P1476
Complete structural and magnet ...... lycyl radical as a case study.
@en
P2093
Carlo Adamo
P2860
P304
P356
10.1063/1.1791031
P407
P577
2004-10-01T00:00:00Z