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The FTIR spectra of substituted tetraoxa[8]circulenes and their assignments based on DFT calculations
Valentina A. Minaeva, Boris F. Minaev, Gleb V. Baryshnikov, Olga M. Romeyko,
Michael Pittelkow
Kemisk Institut
21
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Keyphrases
FTIR Spectra
100%
Circulenes
100%
Density Functional Calculations
100%
Infrared Intensities
33%
Density Functional Theory
33%
Mode Based
33%
Molecular Geometry
33%
Vibrational Modes
33%
Quantum Chemical Calculations
33%
Harmonic Vibrational Frequencies
33%
Vibrational Spectra
33%
B3LYP
33%
Symmetry Constraints
33%
Experimental Spectra
33%
Chemistry
Fourier Transform Infrared Spectroscopy
100%
Density Functional Theory
100%
Vibrational Spectra
33%
Molecular Geometry
33%
Point Group
33%
Density Functional Theory
33%
DFT-B3LYP Calculation
33%
Quantum Chemical Calculations
33%
Vibrational Frequency
33%