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Słowo kluczowe VPT2
2016
Computational and quantum chemical study on high-frequency dielectric function of tert-butylmethyl ether in mid-infrared and near-infrared regions.
Beć Krzysztof B., Grabska Justyna E., Huck Christian W., Ozaki Yukihiro, Hawranek Jerzy P.
2024
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers
Xu Ruiqin, Jiang Zhongming, Yang Qin, Bloino Julien, Biczysko Małgorzata