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Rovibrational and temperature effects in theoretical studies of NMR parameters
Rasmus Faber, Jakub Kaminsky,
Stephan P. A. Sauer
Department of Chemistry
25
Citations (Scopus)
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Dive into the research topics of 'Rovibrational and temperature effects in theoretical studies of NMR parameters'. Together they form a unique fingerprint.
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Keyphrases
Temperature Effect
100%
Ro-vibrational
100%
NMR Parameters
100%
Chemical Shift
50%
Computational Techniques
50%
Temperature Correction
50%
Molecular Structure
50%
High-throughput Calculations
50%
Molecular Environment
50%
Molecular Flexibility
50%
NMR Spectra
50%
Molecular Equilibria
50%
Relativistic Effects
50%
Equilibrium Geometry
50%
Hardware Resources
50%
Spin-spin Coupling Constants
50%
Zero Point
50%
Vibrational Corrections
50%
Chemistry
NMR Spectroscopy
100%
NMR Spectrum
33%
Spin-Spin Coupling Constant
33%
Molecular Structure
33%
Chemical Shift
33%