B. F. Gherman

发表

Can an ancillary ligand lead to a thermodynamically stable end-on 1 : 1 Cu-O2 adduct supported by a beta-diketiminate ligand?

C. Cramer, W. Tolman, D. Heppner, 2006, Dalton transactions.

Effects of thioether substituents on the O2 reactivity of beta-diketiminate-Cu(I) complexes: probing the role of the methionine ligand in copper monooxygenases.

C. Cramer, W. Tolman, V. Young, 2006, Journal of the American Chemical Society.

Photodissociation of acetaldehyde: The CH4+CO channel

R. Friesner, R. Bersohn, T. Wong, 2001 .

Effect of Extended Benzannelation Orientation on Bergman and Related Cyclizations of Isomeric Quinoxalenediynes.

B. F. Gherman, Stephanie A. Valenzuela, Alondra J Cortés, 2017, The Journal of organic chemistry.

Substrate hydroxylation in methane monooxygenase: quantitative modeling via mixed quantum mechanics/molecular mechanics techniques.

R. Friesner, S. Lippard, B. F. Gherman, 2005, Journal of the American Chemical Society.

Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase.

R. Friesner, V. Guallar, W. Miller, 2002, Journal of the American Chemical Society.

Hydroxylation of methane by non-heme diiron enzymes: molecular orbital analysis of C-H bond activation by reactive intermediate Q.

R. Friesner, S. Lippard, M. Baik, 2002, Journal of the American Chemical Society.

Quantum chemical studies of methane monooxygenase: comparision with P450.

R. Friesner, V. Guallar, S. Lippard, 2002, Current opinion in chemical biology.

Dioxygen activation in methane monooxygenase: a theoretical study.

R. Friesner, S. Lippard, M. Baik, 2004, Journal of the American Chemical Society.

Quantum chemical studies of methane monooxygenase : comparision with P 450

Benjamin F. Gherman, R. Friesner, V. Guallar, 2022 .

Electronic effects on the reaction mechanism of the metalloenzyme peptide deformylase

Benjamin F. Gherman, B. F. Gherman, Jason S. Fell, 2015, Theoretical Chemistry Accounts.

Prediction of reduction potentials from calculated electron affinities for metal-salen compounds

Benjamin F. Gherman, James A. Miranda, A. R. Mitchell, 2009, Beilstein journal of organic chemistry.

Characterization of a 1:1 Cu-O2 adduct supported by an anilido imine ligand.

C. Cramer, W. Tolman, Anne M. Reynolds, 2005, Inorganic chemistry.

Modeling the peroxide/superoxide continuum in 1:1 side-on adducts of O2 with Cu.

C. Cramer, B. F. Gherman, 2004, Inorganic Chemistry.

Syntheses and reactivity of naphthalenyl-substituted arenediynes.

M. Olmstead, Trang T. Nguyen, B. F. Gherman, 2011, Organic letters.

Synthesis of zinc and cadmium O -alkyl thiocarbonate and dithiocarbonate complexes and a cationic zinc hydrosulfide complex

Sylvanna V. Krawczyk, E. Brown, A. Arif, 2012 .

Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.

C. Cramer, W. Tolman, Nermeen W. Aboelella, 2006, Dalton transactions.

Quantum chemical studies of molecules incorporating a Cu2O22+ core

Christopher J. Cramer, Benjamin F. Gherman, C. Cramer, 2009 .

Models for dioxygen activation by the CuB site of dopamine β-monooxygenase and peptidylglycine α-hydroxylating monooxygenase

Benjamin F. Gherman, C. Cramer, W. Tolman, 2006, JBIC Journal of Biological Inorganic Chemistry.

Dioxygen activation at a single copper site: structure, bonding, and mechanism of formation of 1:1 Cu-O2 adducts.

Benjamin F. Gherman, K. Hodgson, C. Cramer, 2004, Journal of the American Chemical Society.

Characterization of the structure and reactivity of monocopper–oxygen complexes supported by β‐diketiminate and anilido‐imine ligands

Christopher J. Cramer, William B. Tolman, Benjamin F. Gherman, 2006, J. Comput. Chem..

Syntheses, thermal reactivities, and computational studies of aryl-fused quinoxalenediynes: effect of extended benzannelation on Bergman cyclization energetics.

Christopher D. Cox, B. F. Gherman, A. Rios, 2012, The Journal of organic chemistry.

How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations

Benjamin F. Gherman, R. Friesner, R. Murphy, 2003 .

Metal-Salens As Catalysts In Electroreductive Cyclization and Electrohydrocyclization: Computational and Experimental Studies

James A. Miranda, B. F. Gherman, Jason S. Fell, 2013 .

Importance of iron as the metal ion in peptide deformylase: a biomimetic computational study

Benjamin F. Gherman, Matthew F Brown, B. F. Gherman, 2011 .

PdnCO (n = 1,2): accurate Ab initio bond energies, geometries, and dipole moments and the applicability of density functional theory for fuel cell modeling.

Donald G Truhlar, Christopher J Cramer, C. Cramer, 2006, The journal of physical chemistry. B.

Models of Electron-Hole Screening and Exciton Binding in Conjugated Polymers

D. Yaron, B. F. Gherman, E. E. Moore, 1995 .

How useful are vibrational frequencies of isotopomeric O2 fragments for assessing local symmetry? Some simple systems and the vexing case of a galactose oxidase model

C. Cramer, C. Kinsinger, L. Gagliardi, 2005, JBIC Journal of Biological Inorganic Chemistry.

Coulomb screening and exciton binding energies in conjugated polymers

D. Yaron, B. F. Gherman, E. E. Moore, 1997 .

Comparison of the INDO band structures of polyacetylene, polythiophene, polyfuran, and polypyrrole

Benjamin F. Gherman, D. Yaron, B. F. Gherman, 2001 .

Activation of the C-H bond of methane by intermediate Q of methane monooxygenase: a theoretical study.

R A Friesner, Benjamin F. Gherman, R. Friesner, 2001, Journal of the American Chemical Society.