Computational NMR
LSDRM
In complement to the instrumental and methodological developments, computational chemistry helps in understanding, predicting and interpreting the experimental data.
The developed methods are based on:
- quantum chemistry
- ab initio molecular dynamics and metadynamics
- DFT-NMR Computations combined with MD simulations
The application domains cover:
- material studies (glasses)
- optical properties
- MRI contrast agents
- NMR biosensors
#2696 - Màj : 04/09/2018
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Institut Rayonnement Matière de Saclay • UMR 3685 NIMBE : Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Énergie • UMR 3685 NIMBE: Nanoscience and Innovation for Materials, Biomedecine and Energy
• Laboratoire Structure et Dynamique par Résonance Magnétique (LSDRM)
