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"DFT studies using supercells and projector-augmented waves for structure, ..."

R. Maul et al. (2007)

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DOI: 10.1002/JCC.20683

access: closed

type: Journal Article

metadata version: 2020-06-02

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  - https://dblp.org/rec/journals/jcc/MaulOPHB07
R. Maul, Frank Ortmann, Martin Preuss, Karsten Hannewald, Friedhelm Bechstedt:
DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine. J. Comput. Chem. 28(11): 1817-1833 (2007)

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