Benjamin F. Gherman, Ph.D.
Affiliations: | 2003 | Columbia University, New York, NY |
Area:
Computational ChemistryGoogle:
"Benjamin Gherman"Mean distance: 8.91 | S | N | B | C | P |
Parents
Sign in to add mentorRichard A. Friesner | grad student | 2003 | Columbia | |
(Using quantum mechanics (QM) and mixed quantum mechanics /molecular mechanics (QM/MM) methods to study reaction mechanisms in enzymes.) |
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Publications
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Fell JS, Steele DM, Hatcher TC, et al. (2015) Electronic effects on the reaction mechanism of the metalloenzyme peptide deformylase Theoretical Chemistry Accounts. 134 |
Yates JM, Fell JS, Miranda JA, et al. (2013) Metal-salens as catalysts in electroreductive cyclization and electrohydrocyclization: Computational and experimental studies Journal of the Electrochemical Society. 160: G3080-G3090 |
Spence JD, Rios AC, Frost MA, et al. (2012) Syntheses, thermal reactivities, and computational studies of aryl-fused quinoxalenediynes: effect of extended benzannelation on Bergman cyclization energetics. The Journal of Organic Chemistry. 77: 10329-39 |
Korovina NV, Chang ML, Nguyen TT, et al. (2011) Syntheses and reactivity of naphthalenyl-substituted arenediynes. Organic Letters. 13: 3660-3 |
Gherman BF, Cramer CJ. (2009) Quantum chemical studies of molecules incorporating a Cu2O2 2+ core Coordination Chemistry Reviews. 253: 723-753 |
Schultz NE, Gherman BF, Cramer CJ, et al. (2006) PdnCO (n = 1,2): accurate Ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling. The Journal of Physical Chemistry. B. 110: 24030-46 |
Hill LM, Gherman BF, Aboelella NW, et al. (2006) Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes. Dalton Transactions (Cambridge, England : 2003). 4944-53 |
Heppner DE, Gherman BF, Tolman WB, et al. (2006) Can an ancillary ligand lead to a thermodynamically stable end-on 1 : 1 Cu-O2 adduct supported by a beta-diketiminate ligand? Dalton Transactions (Cambridge, England : 2003). 4773-82 |
Gherman BF, Tolman WB, Cramer CJ. (2006) Characterization of the structure and reactivity of monocopper-oxygen complexes supported by beta-diketiminate and anilido-imine ligands. Journal of Computational Chemistry. 27: 1950-61 |
Aboelella NW, Gherman BF, Hill LM, et al. (2006) Effects of thioether substituents on the O2 reactivity of beta-diketiminate-Cu(I) complexes: probing the role of the methionine ligand in copper monooxygenases. Journal of the American Chemical Society. 128: 3445-58 |