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Updated: May 5, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

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A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: application to

Dimas Suárez1, Natalia Díaz, Ramón López

  • 1Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, C/ Julián Clavería 8, Oviedo, 33006, Spain.

Journal of Computational Chemistry
|December 3, 2013
PubMed

Keywords:
conformational search • semiempirical calculations • density functional calculations • bioorganometallic complexes • molybdocene

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