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Journal of Magnetic Resonance, ISSN 1090-7807, 09/2016, Volume 270, pp. 124 - 135
This paper presents an overview of the Fokker-Planck formalism for non-biological magnetic resonance simulations, describes its existing applications and... 
Simulation | Spin dynamics | Magnetic resonance | SOLID-STATE NMR | BIOCHEMICAL RESEARCH METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | RELAXATION | POWDER SPECTRA | SPACE | SPECTROSCOPY | COMPUTER-SIMULATIONS | STEADY-STATE | OVERTONE NMR | RESOLUTION NMR | Spin coupling
Journal Article
Journal of Magnetic Resonance, ISSN 1090-7807, 09/2019, Volume 306, pp. 75 - 79
These are personal recollections and musings, written for the 50th Anniversary of the . They are distilled from twenty years of writing simulation code, and... 
Simulation | Theory | Magnetic resonance | SIMULATION ALGORITHM | SPIN DYNAMICS | SPECTROSCOPY | BIOCHEMICAL RESEARCH METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LINE-SHAPES | SOFTWARE PACKAGE
Journal Article
Magnetic Resonance in Chemistry, ISSN 0749-1581, 06/2018, Volume 56, Issue 6, pp. 415 - 437
Liquid state nuclear magnetic resonance is the only class of magnetic resonance experiments for which the simulation problem is solved comprehensively for spin... 
NMR | spinach | software | simulation | spin | SPECTROSCOPY | CHEMISTRY, PHYSICAL | CHEMISTRY, MULTIDISCIPLINARY | Nuclear magnetic resonance | Nuclear magnetic resonance--NMR | Fluid dynamics | Simulation | Fluid flow | Hydrodynamics | Chemical reactions | Spinach | Special Issue Tutorials | Special Issue Tutorial
Journal Article
Journal of Magnetic Resonance, ISSN 1090-7807, 2011, Volume 209, Issue 1, pp. 31 - 38
Journal Article
Journal of Magnetic Resonance, ISSN 1090-7807, 08/2013, Volume 233, pp. 107 - 112
► Several methods are suggested for the analysis of high-dimensional spin system trajectories. ► The methods are illustrated using spin dynamics under optimal... 
NMR | EPR | Optimal control | DESIGN | SPECTROSCOPY | BIOCHEMICAL RESEARCH METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AMPLITUDE | NCO | BROAD-BAND EXCITATION | Populations | Dynamics | Magnetic resonance | Trajectories | Subspaces | Trajectory analysis | Dynamical systems | Physics - Quantum Physics
Journal Article
Journal of Magnetic Resonance, ISSN 1090-7807, 2008, Volume 195, Issue 1, pp. 45 - 51
Journal Article
ISSN 1463-9076, 9/2016, Volume 18, Issue 38, pp. 26412 - 26422
This paper presents a detailed analysis of the pseudocontact shift (PCS) field induced by a mobile spin label that is viewed as a probability density... 
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 07/2017, Volume 147, Issue 4, p. 44201
Gd3+-based spin labels are useful as an alternative to nitroxides for intramolecular distance measurements at high fields in biological systems. However,... 
SPECTROSCOPY | MULTIPLE-FREQUENCY | FIELD PULSED EPR | GD3+ COMPLEXES | GD(III) COMPLEXES | PROTEIN DIMER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SPIN LABELS | COMPREHENSIVE SOFTWARE PACKAGE | DEER MEASUREMENTS | RANGE | Time domain analysis | Gadolinium | Distance measurement | Simulation | Computer simulation | Modulation
Journal Article
Journal of Magnetic Resonance, ISSN 1090-7807, 06/2018, Volume 291, pp. 27 - 31
The application of overtone nuclear magnetic resonance (OT NMR) to symmetric spin transitions of integer quadrupolar nuclei is of considerable interest since... 
Boron-10 | Solid-state NMR | Overtone transitions | Indirect detection | Fast MAS
Journal Article
Journal of magnetic resonance (San Diego, Calif. : 1997), ISSN 1090-7807, 04/2018, Volume 291, pp. 27 - 31
The application of overtone nuclear magnetic resonance (OT NMR) to symmetric spin transitions of integer quadrupolar nuclei is of considerable interest since... 
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 05/2016, Volume 144, Issue 20, p. 204107
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 09/2017, Volume 56, Issue 40, pp. 12215 - 12218
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2015, Volume 143, Issue 8, p. 084113
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 38, pp. 26412 - 26422
This paper presents a detailed analysis of the pseudocontact shift (PCS) field induced by a mobile spin label that is viewed as a probability density... 
MOLECULAR-DYNAMICS | MINIMIZATION | CHEMICAL-SHIFTS | L-CURVE | NMR RESTRAINTS | NUCLEAR-MAGNETIC-RESONANCE | SUSCEPTIBILITY | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PARAMAGNETIC METALLOPROTEINS | CHEMISTRY, PHYSICAL | POSED PROBLEMS | Approximation | Magnetic permeability | Mathematical analysis | Physical chemistry | Labels | Deviation | Density | Symmetry
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 09/2016, Volume 18, Issue 38, pp. 26412 - 26422
This paper presents a detailed analysis of the pseudocontact shift (PCS) field induced by a mobile spin label that is viewed as a probability density... 
Physics - Chemical Physics
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 26, pp. 17676 - 17686
Journal Article
Chemical Communications, ISSN 1359-7345, 2018, Volume 54, Issue 40, pp. 5118 - 5121
Monofluorination at the proline 4-position results in conformational effects, which is exploited for a range of applications. However, this conformational... 
COLLAGEN | AMINO-ACIDS | STABILITY | F-19 NMR | PROTEINS | PROLINE | CANCER | CHEMISTRY, MULTIDISCIPLINARY | PEPTIDE | TOOLS | Proline | Fluorine | Nuclear magnetic resonance--NMR
Journal Article