Benjamin F. Gherman, Ph.D.

2003 Columbia University, New York, NY 
Computational Chemistry
"Benjamin Gherman"
Mean distance: 8.91


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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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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
Bateni SB, England KR, Galatti AT, et al. (2009) Prediction of reduction potentials from calculated electron affinities for metal-salen compounds. Beilstein Journal of Organic Chemistry. 5: 82
Gherman BF, Cramer CJ. (2009) Quantum chemical studies of molecules incorporating a Cu2O2 2+ core Coordination Chemistry Reviews. 253: 723-753
Winter AH, Falvey DE, Cramer CJ, et al. (2007) Benzylic cations with triplet ground states: computational studies of aryl carbenium ions, silylenium ions, nitrenium ions, and oxenium ions substituted with meta pi donors. Journal of the American Chemical Society. 129: 10113-9
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
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