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 mentor| Richard 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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| Valenzuela SA, Cortes AJ, Tippins ZJE, et al. (2017) Effect of Extended Benzannelation Orientation on Bergman and Related Cyclizations of Isomeric Quinoxalenediynes. The Journal of Organic Chemistry |
| 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 |
| Spiropulos NG, Standley EA, Shaw IR, et al. (2012) Synthesis of zinc and cadmium O-alkyl thiocarbonate and dithiocarbonate complexes and a cationic zinc hydrosulfide complex Inorganica Chimica Acta. 386: 83-92 |
| Korovina NV, Chang ML, Nguyen TT, et al. (2011) Syntheses and reactivity of naphthalenyl-substituted arenediynes. Organic Letters. 13: 3660-3 |
| Brown MF, Gherman BF. (2011) Importance of iron as the metal ion in peptide deformylase: A biomimetic computational study Theoretical Chemistry Accounts. 128: 137-146 |
| 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 |