John F. Gaff, Ph.D.

Affiliations: 
2011 North Carolina State University, Raleigh, NC 
Area:
Physical Chemistry, Analytical Chemistry
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Stefan Franzen grad student 2011 NCSU
 (Development of Methods to Simulate Resonance Raman Spectra Employing Density Functional Theory: Application to the Investigation of the Chemical Mechanism of Surface Enhanced Raman Scattering by Examination of Pyridine on Silver Clusters.)
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Publications

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Franzen S, Brown D, Gaff J, et al. (2012) A resonance Raman enhancement mechanism for axial vibrational modes in the pyridine adduct of myoglobin proximal cavity mutant (H93G). The Journal of Physical Chemistry. B. 116: 10514-21
Gaff J, Franzen S. (2012) Resonance Raman enhancement of pyridine on Ag clusters Chemical Physics. 397: 34-41
Ma H, Thompson MK, Gaff J, et al. (2010) Kinetic analysis of a naturally occurring bioremediation enzyme: dehaloperoxidase-hemoglobin from Amphitrite ornata. The Journal of Physical Chemistry. B. 114: 13823-9
Gaff JF, Franzen S, Delley B. (2010) Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization. The Journal of Physical Chemistry. A. 114: 11681-90
de Serrano VS, Davis MF, Gaff JF, et al. (2010) X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond. Acta Crystallographica. Section D, Biological Crystallography. 66: 770-82
Gaff JF, Franzen S. (2009) Excited-state geometry method for calculation of the absolute resonance Raman cross sections of the aromatic amino acids. The Journal of Physical Chemistry. A. 113: 5414-22
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