Graduate studies and related work

Ph.D. Thesis copyright 1994 Jörgen Hansen.

PhD (1994) at Stockholm University, Physical Chemistry. Supervisors: Prof. Jozef Kowalewski. Dr. Aatto Laaksonen. Thesis: Molecular Dynamics Simulations of Intermolecular Mechanisms in Nuclear Spin Relaxation. PDF

In my graduate studies, nuclear spin relaxation in molecular liquids was simulated through molecular dynamics simulations to study the microscopic origin of quadrupolar, dipolar and paramagnetic relaxation.

Zero-field splitting in Ni2+(aq)

For example for paramagnetic relaxation, the fluctuations in the ZFS are used to calculate the electron spin dynamics and consequently the nuclear spin relaxation of protons in the hydrated waters. It included developing an ab initio quantum chemical method for calculation of the ZFS, and an effective pair potential for the nickel water interaction.