Oct 16, 2019   0:35 a.m. Vladimíra
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Ab initio calculations of NMR properties with electron correlation and relativistic effects and vibrational corrections

Supervisor: RNDr. Andrej Antušek, PhD.


Basic information   Workers      


This page shows details on the project. The primary projects are displayed together with a list of sub-projects.

Project description:This project is focused on precise ab initio calculations fo NMR properties of molecules. We will explore trends of all important contributions such as electron correlations effects, relativistic effects and vibrational corrections for NMR properties of selected systems. The accuracy which can be reached using "state of the art" quantum chemical methods will be evaluated by comparison of theoretical results and gas-phase NMR experimental values.
Kind of project:VEGA ()
Department:Institute of Materials (MTF)
Project identification:1/0840/08
Project status:Successfully completed
Project start date :01. 02. 2008
Project close date:31. 12. 2010
Number of workers in the project:4
Number of official workers in the project:4

Official project workers

The following table shows the researcher workers who have been assigned official roles in a project.

OfficerOfficial roles
RNDr. Andrej Antušek, PhD.zodpovedný riešiteľ
Mária Klobušiakováadministratíva
Bc. Alena Michálikováadministratíva
Mgr. Filip Holka, PhD.spoluriešiteľ