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Some new results in the quantum mechanical investigation of DNa

✍ Scribed by J. Ladik; P. Otto; W. Förner

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
431 KB
Volume
24
Category
Article
ISSN
0020-7608

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✍ A. Jongejan; J. A. Jongejan; W. R. Hagen 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 333 KB 👁 1 views

## Abstract Oxidation of alcohols by direct hydride transfer to the pyrroloquinoline quinone (PQQ) cofactor of quinoprotein alcohol dehydrogenases has been studied using __ab initio__ quantum mechanical methods. Energies and geometries were calculated at the 6‐31G(d,p) level of theory. Comparison o