Does the choice of the crystal structure influence the results of the periodic DFT calculations? A case of glycine alpha polymorph GIPAW NMR parameters computations.
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| Description | scientific article published on 5 January 2018 |
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author: Monika Zielińska-Pisklak Lukasz Szeleszczuk Maciej Pisklak |
| Publication date | January 5, 2018 |
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