Research Interests


Contact Information



Dr. John Merle

Assistant Professor of Chemistry

Winston Salem State University

601 MLK Jr. Drive

Winston Salem, NC 27110

Email: merlejo@wssu.edu

Phone: 336-750-2237

Fax: 336-750-2549


Education


A.S.: American River College, Sacramento,       California, 1996.

B.S. Chemistry: California State University, Sacramento, 1999 Magna cum laude.

Ph.D. Physical Chemistry: The Ohio State University, Columbus, Ohio,  2005.

Advisor: Dr. Christopher M. Hadad

Postdoctoral Research: National Research Council (NRC)/ National Institute of Standards and Technology (NIST) Fellow, NIST, Gaithersburg, MD, 2005-7.

Advisor: Dr. Karl K. Irikura

 

I use quantum computational chemistry (ab initio and density functional theory methods) to generate reaction energy profiles (reactants → intermediates and transition state → products). Reaction energy profiles can be used to predict the thermodynamic and kinetic favorability of chemical reactions.  Important molecular properties can be also be predicted for comparison with experiments such as vibrational frequencies and their absorption intensities (IR spectra), rotational constants (microwave), electron spin densities (EPR), and electronic excitation (UV spectra).

John Merle

Department of Chemistry

Winston Salem State University

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