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zfekete2
/
10.1080-00268970701598089
Supplementary material for DOI:10.1080/00268970701598089
harmonic-analysis
quantum-chemistry
semiempirical-methods
spectra
mndo
molecular-orbitals
semiempirical-parametrization
vibrational-frequencies
vibrational-spectra
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Awk
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