John L. Lewin, Ph.D.

Affiliations: 
2007 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical Chemistry, Molecular Modeling, Computational Chemistry, Structure, Reactivity, and Mechanism
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"John Lewin"
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Christopher J. Cramer grad student 2007 UMN
 (Theoretical characterization of carbon-hydrogen bond activation in organometallic and biomimetic systems.)
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Publications

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Keasler SJ, Lewin JL, Siepmann JI, et al. (2013) Molecular insights for the optimization of solvent-based selective extraction of ethanol from fermentation broths Aiche Journal. 59: 3065-3070
Lewin JL, Maerzke KA, Schultz NE, et al. (2010) Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation Journal of Applied Polymer Science. 116: 1-9
Lewin JL, Cramer CJ. (2008) Modified carbon pseudopotential for use in ONIOM calculations of alkyl-substituted metallocenes. The Journal of Physical Chemistry. A. 112: 12754-60
Lewin JL, Heppner DE, Cramer CJ. (2007) Validation of density functional modeling protocols on experimental bis(mu-oxo)/mu-eta2:eta2-peroxo dicopper equilibria. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 12: 1221-34
Lewin JL, Woodrum NL, Cramer CJ. (2006) Density functional characterization of methane metathesis in ansa-[bis(η5-2-indenyl)methane]ML complexes [M = Sc, Y, Lu; L = CH3, CH2C(CH3)3] Organometallics. 25: 5906-5912
Buck-Koehntop BA, Porcelli F, Lewin JL, et al. (2006) Biological chemistry of organotin compounds: Interactions and dealkylation by dithiols Journal of Organometallic Chemistry. 691: 1748-1755
Lewin JL, Cramer CJ. (2004) Rapid quantum mechanical models for the computational estimation of C-H bond dissociation energies as a measure of metabolic stability. Molecular Pharmaceutics. 1: 128-35
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