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A fluctuating quantum model of the CO vibration in carboxyhemoglobin.
- Source :
-
The Journal of chemical physics [J Chem Phys] 2011 Jun 07; Vol. 134 (21), pp. 214106. - Publication Year :
- 2011
-
Abstract
- In this paper, we present a theoretical approach to construct a fluctuating quantum model of the CO vibration in heme-CO proteins and its interaction with external laser fields. The methodology consists of mixed quantum-classical calculations for a restricted number of snapshots, which are then used to construct a parametrized quantum model. As an example, we calculate the infrared absorption spectrum of carboxy-hemoglobin, based on a simplified protein model, and found the absorption linewidth in good agreement with the experimental results.<br /> (© 2011 American Institute of Physics)
Details
- Language :
- English
- ISSN :
- 1089-7690
- Volume :
- 134
- Issue :
- 21
- Database :
- MEDLINE
- Journal :
- The Journal of chemical physics
- Publication Type :
- Academic Journal
- Accession number :
- 21663343
- Full Text :
- https://doi.org/10.1063/1.3592707