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Ralph A. Wheeler

Affiliations: 
1990-2010 Department of Chemistry and Biochemistry University of Oklahoma, Norman, OK, United States 
 2016- Chemistry Northern Illinois University, DeKalb, IL, United States 
Area:
Biochemistry, Physical Chemistry
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Parents

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Roald Hoffmann grad student 1982-1987 Cornell

Children

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Zunnan Huang grad student 2005 University of Oklahoma
Christopher A. Hixson grad student 2006 University of Oklahoma
Timothy H. Click grad student 2007 University of Oklahoma
Zhanyong Guo grad student 2008 University of Oklahoma

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Publications

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Hixson CA, Wheeler RA. (2009) Pressure Annealing as a Complement to Temperature Annealing To Find Low-Energy Structures of Oligomeric Molecules. Journal of Chemical Theory and Computation. 5: 1883-1894
Huang Z, Wong CF, Wheeler RA. (2008) Flexible protein-flexible ligand docking with disrupted velocity simulated annealing. Proteins. 71: 440-54
Carter SM, Lee J, Hixson CA, et al. (2006) Fiber-optic infrared reflectance spectroelectrochemical studies of osmium and ruthenium nitrosyl porphyrins containing alkoxide and thiolate ligands. Dalton Transactions (Cambridge, England : 2003). 1338-46
Yoneda JD, Albuquerque MG, Leal KZ, et al. (2006) Molecular dynamics simulations of a nucleoside analogue of 1,4-dihydro-4-oxoquinoline-3-carboxylic acid synthesized as a potential antiviral agent: Conformational studies in vacuum and in water Journal of Molecular Structure: Theochem. 778: 97-103
Rahaman A, Wheeler RA. (2005) Wavelet Transforms for Determining Time-Dependent Vibrational Frequencies. Journal of Chemical Theory and Computation. 1: 769-71
Hixson CA, Chen J, Huang Z, et al. (2004) New perspectives on multiple-copy, mean-field molecular dynamics methods. Journal of Molecular Graphics & Modelling. 22: 349-57
Sinha P, Boesch SE, Gu C, et al. (2004) Harmonic Vibrational Frequencies:  Scaling Factors for HF, B3LYP, and MP2 Methods in Combination with Correlation Consistent Basis Sets The Journal of Physical Chemistry A. 108: 9213-9217
Hixson CA, Wheeler RA. (2004) Practical multiple-copy methods for sampling classical statistical mechanical ensembles Chemical Physics Letters. 386: 330-335
Wheeler RA, Dong H. (2003) Optimal spectrum estimation in statistical mechanics. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 4: 1227-30
York SS, Boesch SE, Wheeler RA, et al. (2003) Vibrational assignments for high molecular weight linear polyethylenimine (LPEI) based on monomeric and tetrameric model compounds Macromolecules. 36: 7348-7351
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