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NMR Research Group


Seminars 2010

The weekly seminar of the NMR group, held at Fridays in the spectroscopy coffee room, Tä 219, at 14.00, is open for everyone interested. Coffee, bakings and the latest research of the group! Welcome!


29.1. Marcin Selent
Experiments on clathrate systems with the use of 129Xe NMR

05.2. Jukka Jokisaari
Properties of a ferroelectric liquid crystal as studied by NMR spectroscopy of small solutes

Noble gas probes (21Ne, 129Xe and 131Xe) and small molecular probes (13CH4 and CD4) were used to derive information about a ferroelectric liquid crystal. NMR spectra of the probes were taken over a temperature range which covers all the phases (isotropic, chiral nematic, smectic A and smectic C*) of the liquid crystal.

12.02. Juhani Lounila
Quadrupolar noble gases in liquid crystals

19.02. Matti Hanni
On the calculation of NMR relaxation times

First results on the calculation of NMR relaxation times are shown

26.02. Jukka Jokisaari
Second order contributions to the NMR spectral transitions of a spin-3/2 nucleus in liquid-crystalline environments. Perturbation theoretical approach

05.03. Jouni Karjalainen
Parallel tempering simulations of liquid crystals

Parallel tempering, also known as Replica exchange is a widely used method to accelerate sampling of configuration space in Monte Carlo and hybrid Molecular Dynamics simulations. However, in the Parallel tempering literature it is often not mentioned that it is not a "black box" method but may need quite a lot of careful tuning and handwork. Case of a Gay-Berne liquid crystal in a cylindrical cavity is used as an example.

09.04. Perttu Lantto
Modeling Xe shift in finite size CNTs

16.04. Ville-Veikko Telkki
Travel time distributions measured by remote detection NMR

23.04. Päivi Kekkonen
NMR Cryoporometry Measurements of Thermally Modified Wood

07.05. Juha Vaara
Calculations of nuclear spin optical rotation

21.05. Teemu Pennanen

Final results on investigation of the water dimer NMR parameters in different dimer geometries are displayed and discussed.

01.10. Anu Kantola

08.10. Ville-Veikko Telkki
Greetings from MRPM10

15.10. Jukka Jokisaari
Residual chemical shift anisotropy in partially oriented macromolecules

29.10. Päivi Kekkonen
NMR Cryoporometry Measurements of Thermally Modified Wood (part 2)
Seminar will take place in the Biophysics seminar room.

05.11. Jiri Mares
Paramagnetic nuclear magnetic resonance, solvation structure and dynamics of Ni2+ (aq .) from first principles.
(. . . having pNMR relaxation in mind . . . )

12.11. Marcin Selent
Toward the NMR guided crystallography of clathrate type inclusion compounds
N.B. New seminar room is (Tä 219)

19.11 Matti Hanni
The computational path to chemical shift anisotropy relaxation of monoatomic 129Xe

The chemical shift anisotropy (CSA) relaxation times are computed from first principles using molecular dynamics simulations combined with pairwise additive approximation for the nuclear shielding tensor. The underlying physics are quality checked both for the Xe-Xe interaction potential and for the shielding tensor in the context of CSA relaxation.

26.11. Jouni Karjalainen
Liquid crystal ordering in a cylindrical nanocavity: What is The Phase?

03.12. Teemu Pennanen
Nuclear spin optical rotation and Faraday effect in water

10.12. Juhani Lounila
P and T symmetries in NMR

17.12. Vladimir V. Zhivonitko
Imaging of microreactors by combining remote-detection NMR and parahydrogen-induced polarization



Seminars 2002

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