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Theoretical Investigation of Infrared Spectra and Pocket Dynamics of Photodissociated Carbonmonoxy Myoglobin

✍ Scribed by Nutt, David R.; Meuwly, Markus

Book ID
118515525
Publisher
Biophysical Society
Year
2003
Tongue
English
Weight
342 KB
Volume
85
Category
Article
ISSN
0006-3495

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✍ A. Selmani; A. Ouhlal πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 287 KB

The structures and the related vibrational spectra of the AICO2 complexes are investigated using a local spin density functional method. The calculations indicate in agreement with a recent spectroscopic study on this system, the existence of two isomers with almost the same energy ( < 2 kcal/mol).