Relaxivity in paramagnetic systems: Theory and mechanisms

L Helm - Progress in Nuclear Magnetic Resonance …, 2006 - Elsevier
Paramagnetic systems contain one or more unpaired electrons and have therefore a
positive magnetic susceptibility. The paramagnetic systems of main interest to chemists …

NMR relaxation in solution of paramagnetic complexes: Recent theoretical progress for S>= 1

J Kowalewski, D Kruk, G Parigi - Advances in inorganic chemistry, 2005 - flore.unifi.it
The last decade has witnessed a rapid development of both theoretical ideas and NMR
relaxation measurements (high-resolution as well as NMRD) for a variety of paramagnetic …

Paramagnetic NMR relaxation enhancement: recent advances in theory

R Sharp, L Lohr, J Miller - Progress in Nuclear Magnetic Resonance …, 2001 - Elsevier
The T1 and T2 relaxation rate enhancements produced by dissolved paramagnetic solutes
is called the NMR paramagnetic relaxation enhancement or NMR-PRE. Because the …

Slow-motion theory of nuclear spin relaxation in paramagnetic low-symmetry complexes: a generalization to high electron spin

T Nilsson, J Kowalewski - Journal of Magnetic Resonance, 2000 - Elsevier
The slow-motion theory of nuclear spin relaxation in paramagnetic low-symmetry complexes
is generalized to comprise arbitrary values of S. We describe the effects of rhombic …

Molecular dynamics simulation of the zero‐field splitting fluctuations in aqueous Ni (II)

M Odelius, C Ribbing, J Kowalewski - The Journal of chemical physics, 1995 - pubs.aip.org
The fluctuations in the zero‐field splitting (ZFS) of the electronic ground state of the Ni (II) ion
in aqueous solution have been studied through a combination of ab initio quantum …

Nuclear‐spin relaxation in paramagnetic complexes in the slow‐motion regime for the electron spin: The anisotropic pseudorotation model for S=1 and the …

T Larsson, PO Westlund, J Kowalewski… - The Journal of chemical …, 1994 - pubs.aip.org
This work presents the anisotropic pseudorotation (APR) model, which is a new dynamic
model for the interpretation of experimental nuclear spin‐lattice relaxation times in …

Low-field theory of nuclear spin relaxation in paramagnetic low-symmetry complexes for electron spin systems of S = 1, 3/2, 2, 5/2, 3 and 7/2

T Nilsson, J Kowalewski - Molecular Physics, 2000 - Taylor & Francis
A low-field theory of nuclear spin relaxation in paramagnetic systems is developed, resulting
in closed analytical expressions. We use the same approach as Westlund, who derived the …

On the philosophy of optimizing contrast agents. An analysis of 1H NMRD profiles and ESR lineshapes of the Gd (III) complex MS-325+ HSA

X Zhou, P Caravan, RB Clarkson… - Journal of Magnetic …, 2004 - Elsevier
A generalization of the modified SBM theory is developed in closed analytical form. The
theory is applied to describe the paramagnetically enhanced water proton spin–lattice …

Slow-motion theory of nuclear spin relaxation in paramagnetic complexes of arbitrary symmetry

T Nilsson, J Svoboda, PO Westlund… - The Journal of chemical …, 1998 - pubs.aip.org
A generalization of the slow-motion theory of nuclear spin relaxation in paramagnetic
systems (S= 1) is developed. The new model takes into account the effects of rhombic …

Vibrational dynamics of zero-field-splitting hamiltonian in gadolinium-based MRI contrast agents from ab initio molecular dynamics

A Lasoroski, R Vuilleumier, R Pollet - The Journal of chemical physics, 2014 - pubs.aip.org
The electronic relaxation of gadolinium complexes used as MRI contrast agents was studied
theoretically by following the short time evolution of zero-field-splitting parameters. The …