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Autor publikacji Zhongming Jiang
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
2020
Toward accurate prediction of amino acid derivatives structure and energetics from DFT: glycine conformers and their interconversions
Shu Chong, Jiang Zhongming, Biczysko Małgorzata
2018
Accurate geometries for “Mountain pass” regions of the Ramachandran plot using quantum chemical calculations
Jiang Zhongming, Biczysko Małgorzata, Moriarty Nigel W.