Syntheses, Thermal Reactivities, and Computational Studies of Aryl-Fused Quinoxalenediynes: Effect of Extended Benzannelation on Bergman Cyclization Energetics
Spence, John D, Rios, Andro C, Frost, Megan A, McCutcheon, Claire M, Cox, Christopher D, Chavez, Sonia, Fernandez, Ramiro, Gherman, Benjamin F
Published in Journal of organic chemistry (16.11.2012)
Published in Journal of organic chemistry (16.11.2012)
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Journal Article
Dioxygen Activation in Methane Monooxygenase: A Theoretical Study
Gherman, Benjamin F, Baik, Mu-Hyun, Lippard, Stephen J, Friesner, Richard A
Published in Journal of the American Chemical Society (10.03.2004)
Published in Journal of the American Chemical Society (10.03.2004)
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Journal Article
PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling
SCHULTZ, Nathan E., GHERMAN, Benjamin F., CRAMER, Christopher J., TRUHLAR, Donald G.
Published in The journal of physical chemistry. B (30.11.2006)
Published in The journal of physical chemistry. B (30.11.2006)
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Journal Article
Syntheses and Reactivity of Naphthalenyl-Substituted Arenediynes
Korovina, Nadezhda V, Chang, Michael L, Nguyen, Trang T, Fernandez, Ramiro, Walker, Heather J, Olmstead, Marilyn M, Gherman, Benjamin F, Spence, John D
Published in Organic letters (15.07.2011)
Published in Organic letters (15.07.2011)
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Journal Article
Hydroxylation of Methane by Non-Heme Diiron Enzymes: Molecular Orbital Analysis of C−H Bond Activation by Reactive Intermediate Q
Baik, Mu-Hyun, Gherman, Benjamin F, Friesner, Richard A, Lippard, Stephen J
Published in Journal of the American Chemical Society (11.12.2002)
Published in Journal of the American Chemical Society (11.12.2002)
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Journal Article
Activation of the C−H Bond of Methane by Intermediate Q of Methane Monooxygenase: A Theoretical Study
Gherman, Benjamin F, Dunietz, Barry D, Whittington, Douglas A, Lippard, Stephen J, Friesner, Richard A
Published in Journal of the American Chemical Society (25.04.2001)
Published in Journal of the American Chemical Society (25.04.2001)
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Journal Article
Prediction of reduction potentials from calculated electron affinities for metal-salen compounds
Bateni, Sarah B, England, Kellie R, Galatti, Anthony T, Kaur, Handeep, Mendiola, Victor A, Mitchell, Alexander R, Vu, Michael H, Gherman, Benjamin F, Miranda, James A
Published in Beilstein journal of organic chemistry (23.12.2009)
Published in Beilstein journal of organic chemistry (23.12.2009)
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Journal Article
Effect of Extended Benzannelation Orientation on Bergman and Related Cyclizations of Isomeric Quinoxalenediynes
Valenzuela, Stephanie A, Cortés, Alondra J, Tippins, Zakery J. E, Daly, Morgan H, Keel, Terell E, Gherman, Benjamin F, Spence, John D
Published in Journal of organic chemistry (15.12.2017)
Published in Journal of organic chemistry (15.12.2017)
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Journal Article
Dioxygen Activation at a Single Copper Site: Structure, Bonding, and Mechanism of Formation of 1:1 Cu−O2 Adducts
Aboelella, Nermeen W, Kryatov, Sergey V, Gherman, Benjamin F, Brennessel, William W, Young, Victor G, Sarangi, Ritimukta, Rybak-Akimova, Elena V, Hodgson, Keith O, Hedman, Britt, Solomon, Edward I, Cramer, Christopher J, Tolman, William B
Published in Journal of the American Chemical Society (29.12.2004)
Published in Journal of the American Chemical Society (29.12.2004)
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Journal Article
Characterization of a 1:1 Cu−O2 Adduct Supported by an Anilido Imine Ligand
Reynolds, Anne M, Gherman, Benjamin F, Cramer, Christopher J, Tolman, William B
Published in Inorganic chemistry (03.10.2005)
Published in Inorganic chemistry (03.10.2005)
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Journal Article
Electronic effects on the reaction mechanism of the metalloenzyme peptide deformylase
Fell, Jason S., Steele, Darren M., Hatcher, Tommy C., Gherman, Benjamin F.
Published in Theoretical chemistry accounts (01.05.2015)
Published in Theoretical chemistry accounts (01.05.2015)
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Journal Article
Effects of Thioether Substituents on the O2 Reactivity of β-Diketiminate−Cu(I) Complexes: Probing the Role of the Methionine Ligand in Copper Monooxygenases
Aboelella, Nermeen W, Gherman, Benjamin F, Hill, Lyndal M. R, York, John T, Holm, Nicole, Young, Victor G, Cramer, Christopher J, Tolman, William B
Published in Journal of the American Chemical Society (15.03.2006)
Published in Journal of the American Chemical Society (15.03.2006)
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Journal Article
Benzylic Cations with Triplet Ground States: Computational Studies of Aryl Carbenium Ions, Silylenium Ions, Nitrenium Ions, and Oxenium Ions Substituted with Meta π Donors
Winter, Arthur H, Falvey, Daniel E, Cramer, Christopher J, Gherman, Benjamin F
Published in Journal of the American Chemical Society (22.08.2007)
Published in Journal of the American Chemical Society (22.08.2007)
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Journal Article
Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) Study of the Deacylation Reaction in a Penicillin Binding Protein (PBP) versus in a Class C β-Lactamase
Gherman, Benjamin F, Goldberg, Shalom D, Cornish, Virginia W, Friesner, Richard A
Published in Journal of the American Chemical Society (23.06.2004)
Published in Journal of the American Chemical Society (23.06.2004)
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Journal Article
Synthesis of zinc and cadmium O-alkyl thiocarbonate and dithiocarbonate complexes and a cationic zinc hydrosulfide complex
Spiropulos, Nicholas G., Standley, Eric A., Shaw, Ian R., Ingalls, Benjamin L., Diebels, Bryan, Krawczyk, Sylvanna V., Gherman, Benjamin F., Arif, Atta M., Brown, Eric C.
Published in Inorganica Chimica Acta (15.05.2012)
Published in Inorganica Chimica Acta (15.05.2012)
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Journal Article
Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes
Hill, Lyndal M R, Gherman, Benjamin F, Aboelella, Nermeen W, Cramer, Christopher J, Tolman, William B
Published in Dalton transactions : an international journal of inorganic chemistry (07.11.2006)
Published in Dalton transactions : an international journal of inorganic chemistry (07.11.2006)
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Journal Article
Models for dioxygen activation by the CuB site of dopamine beta-monooxygenase and peptidylglycine alpha-hydroxylating monooxygenase
Gherman, Benjamin F, Heppner, David E, Tolman, William B, Cramer, Christopher J
Published in Journal of biological inorganic chemistry (01.03.2006)
Published in Journal of biological inorganic chemistry (01.03.2006)
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Journal Article