"Molecular dynamic simulations, GIAO-NMR and TD-DFT spectroscopy analyze ..."

Karinna Mendanha et al. (2021)

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DOI: 10.1002/JCC.26460

access: closed

type: Journal Article

metadata version: 2021-06-01

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Karinna Mendanha, Richard Costa Prado, Leonardo Bruno Assis Oliveira, Guilherme Colherinhas:
Molecular dynamic simulations, GIAO-NMR and TD-DFT spectroscopy analyze for zwitterionic isoleucine (ILE)N, 1 ≤ N ≤ 6, in water solution. J. Comput. Chem. 42(5): 344-357 (2021)

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