2 papers
quant-ph2020
High-field solution state DNP using cross-correlations
Maria Grazia Concilio, Murari Soundararajan, Lucio Frydman +1
At the magnetic fields of common NMR instruments, electron Zeeman frequencies are too high for efficient electron-nuclear dipolar cross-relaxation to occur in solution. The rate of…
physics.chem-ph2016
Density functional theory studies of MTSL nitroxide side chain conformations attached to an activation loop
Maria Grazia Concilio, Alistair J. Fielding, Richard Bayliss +1
A quantum-mechanical (QM) method rooted on density functional theory (DFT) has been employed to determine conformations of the methane-thiosulfonate spin label (MTSL) attached to a…