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Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties
Soren Barsberg
Forest, Nature and Biomass
4
Citations (Scopus)
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Dive into the research topics of 'Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties'. Together they form a unique fingerprint.
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Physics & Astronomy
functionals
62%
harmonics
11%
hydrogen
10%
infrared spectra
15%
interactions
6%
lignin
100%
performance
7%
polymers
9%
predictions
35%
Raman spectra
12%
scaling
23%
solvation
18%
spectroscopy
8%
vibration
10%
Chemical Compounds
Error
37%
Hydrogen
8%
Lignin
66%
Raman Spectrum
13%
Solvation
14%
Vibrational Spectroscopy
17%