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Article

Density functional study on UV/VIS spectra of copper-protein active sites: the effect of mutations.

Chemistry & biodiversity - 1 Sept 2012

Swart Marcel, Johansson Mikael P

Abstract excerpt

UV/VIS Electron excitation spectra have been computed for large, realistic model systems of the blue copper protein family. Fully quantum-chemical calculations at the density-functional theory level employing polarized triple-ζ basis sets have been performed on systems of over 120 atoms, without...

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PMID: 22976965
DOI: 10.1002/cbdv.201200058

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 4 Sept 2026. Prepared record publication-22976965-2026-09-04.2. Manifest publication-graph-cohort-2026-09-04.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 4 Sept 2026.

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