Quantum-mechanical calculations of magne
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W. Marcoin; K. Pasterny; R. Wrzalik
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Article
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2005
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Elsevier Science
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English
⚖ 182 KB
Theoretical calculations of magnesium aspartate-arginine (Mg[Asp-Arg]) structure and spectroscopic characteristics have been performed in the gas phase with the GAUSSIAN 98 software package using density functional theory (DFT) at the B3PW91 level. The 6-31CG\* basis set was selected due to their re