level-one heading

プロフィール詳細

プロジェクトを作成

★★★★★

☆☆☆☆☆

★★★★★

☆☆☆☆☆

Dr. Robert S.に依頼

United States

プロフィール概要

Research focus: theoretically oriented structural and mechanistic organic, organometallic, inorganic, bioinorganic, metalloenzymatic chemistry. Educational background: US, JP, HU higher ed teaching, advising, mentoring undergraduate, graduate, and postgraduate students Service to the scientific community: journal editor-in-chief, peer reviews, grant panels and proposal reviews, outreach from K-12 to adult ed.

専門分野

• ★ Molecular Modeling
• ★ Spectroscopy
• ★ Structural Chemistry
• ☆ Chemistry
• ☆ Inorganic Chemistry
• ☆ Physical Chemistry
• ☆ Analytical Chemistry
• ☆ Organic Chemistry
• ☆ Biochemistry
• ☆ Structural Biology
• ☆ Computational Sciences
• ☆ Protein/Enzyme Engineering
• ☆ Peer Review

サービス

• Writing
• Research
• Consulting
• Data & AI
• Product Development

職務経験

Associate Professor

Montana State University

7月 2003 - 現在

学歴

postdoctoral scholar (Chemistry)

Stanford University

2月 2000 - 5月 2003

postdoctoral scholar (Chemistry)

Emory University

8月 1998 - 1月 2000

Ph.D. in chemistry (Organic Chemistry)

University of Veszprem

9月 1995 - 7月 1998

認定資格

• 認定資格の詳細は未入力です。

出版物

JOURNAL ARTICLE

Rebecca Hanscam, Eric M. Shepard, Joan B. Broderick, Valérie Copié, Robert K. Szilagyi (2019). Secondary structure analysis of peptides with relevance to iron–sulfur cluster nesting . Journal of Computational Chemistry.

Zsirka, B., Horváth, E., Szabó, P., Juzsakova, T., Szilágyi, R.K., Fertig, D., Makó, É., Varga, T., Kónya, Z., Kukovecz, Á., et al.(2017). Thin-walled nanoscrolls by multi-step intercalation from tubular halloysite-10 Å and its rearrangement upon peroxide treatment . Applied Surface Science. 399. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 245-254.

Szorcsik, A., Szorcsik, A., Matyuska, F., Bényei, A., Nagy, N.V., Szilágyi, R.K., Gajda, T.(2016). A novel 1,3,5-triaminocyclohexane-based tripodal ligand forms a unique tetra(pyrazolate)-bridged tricopper(II) core: Solution equilibrium, structure and catecholase activity . Dalton Transactions. 45. (38). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 14998-15012.

Soma, S., Van Stappen, C., Kiss, M., Szilagyi, R.K., Lehnert, N., Fujisawa, K., Soma, S., Van Stappen, C., Kiss, M., Szilagyi, R.K., et al.(2016). Distorted tetrahedral nickel-nitrosyl complexes: spectroscopic characterization and electronic structure . Journal of Biological Inorganic Chemistry. 21. (5-6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 757-775.

Fujisawa, K., Shimizu, M., Szilagyi, R.K.(2016). Comparison of thallium(I) complexes with mesityl-substituted tris(pyrazolyl)hydroborate ligands, [Tl{HB(3-Ms-5-Mepz)³}] and [Tl{HB(3-Ms-5-Mepz)²(3-Me-5-Mspz)}] . Acta Crystallographica Section C: Structural Chemistry. 72. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 786-790.

Yamaguchi, T., Akao, K., Takashina, A., Asamura, S., Unno, M., Szilagyi, R.K., Kohzuma, T.(2016). X-ray crystallographic evidence for the simultaneous presence of axial and rhombic sites in cupredoxins: Atomic resolution X-ray crystal structure analysis of pseudoazurin and DFT modelling . RSC Advances. 6. (91). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 88358-88365.

Táborosi, A., Szilágyi, R.K.(2016). Behaviour of the surface hydroxide groups of exfoliated kaolinite in the gas phase and during water adsorption . Dalton Transactions. 45. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2523-2535.

Fujisawa, K., Kuboniwa, A., Kiss, M., Szilagyi, R.K.(2016). Mono- and binuclear tris(3-tert-butyl-2-sulfanylidene-1H-imidazol-1-yl)hydroborate bismuth(III) dichloride complexes: A soft scorpionate ligand can coordinate to p-block elements . Acta Crystallographica Section C: Structural Chemistry. 72. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 768-776.

Ishitsuka, T., Okuda, Y., Szilagyi, R.K., Mori, S., Nishihara, Y.(2016). The molecular mechanism of palladium-catalysed cyanoesterification of methyl cyanoformate onto norbornene . Dalton Transactions. 45. (18). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 7786-7793.

Harris, T.V., Szilagyi, R.K.(2016). Protein environmental effects on iron-sulfur clusters: A set of rules for constructing computational models for inner and outer coordination spheres . Journal of Computational Chemistry. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1681-1696.

Táborosi, A., Szilagyi, R.K.(2015). Realistic molecular cluster models for exfoliated kaolinite . Clay Minerals. 50. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 307-327.

Barton, R.L., Gardenghi, D.J., Stolte, W.C., Szilagyi, R.K.(2015). Multiedge X-ray absorption spectroscopy part II: XANES analysis of bridging and terminal chlorides in hexachlorodipalladate(II) complex . Journal of Physical Chemistry A. 119. (22). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 5579-5586.

Yamaguchi, T., Yano, J., Yachandra, V.K., Nihei, Y., Togashi, H., Szilagyi, R.K., Kohzuma, T.(2015). The allosteric regulation of axial/rhombic population in a "type 1" copper site: Multi-edge x-ray absorption spectroscopic and density functional Studies of Pseudoazurin . Bulletin of the Chemical Society of Japan. 88. (12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1642-1652.

Taborosi, Attila, Kurdia, Robert, Szilagyi, Robert K.(2014). The positions of inner hydroxide groups and aluminium ions in exfoliated kaolinite as indicators of the external chemical environment . Physical Chemistry Chemical Physics. 16. (47). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 25830-25839.

Táborosi, A., Kurdi, R., Szilágyi, R.K.(2014). The positions of inner hydroxide groups and aluminium ions in exfoliated kaolinite as indicators of the external chemical environment . Physical Chemistry Chemical Physics. 16. (47). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 25830-25839.

Harris, Travis V., Szilagyi, Robert K.(2014). Iron-Sulfur Bond Covalency from Electronic Structure Calculations for Classical Iron-Sulfur Clusters . Journal of Computational Chemistry. 35. (7). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 540-552.

Kawai, Minoru, Yamaguchi, Takahide, Masaoka, Shigeyuki, Tani, Fumito, Kohzuma, Takamitsu, Chiang, Linus, Storr, Tim, Mieda, Kaoru, Ogura, Takashi, Szilagyi, Robert K., et al.(2014). Influence of Ligand Flexibility on the Electronic Structure of Oxidized Ni-III-Phenoxide Complexes . Inorganic Chemistry. 53. (19). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 10195-10202.

Silver, S.C., Gardenghi, D.J., Silver, S.C., Gardenghi, D.J., Naik, S.G., Shepard, E.M., Huynh, B.H., Szilagyi, R.K., Broderick, J.B.(2014). Combined Mössbauer spectroscopic, multi-edge X-ray absorption spectroscopic, and density functional theoretical study of the radical SAM enzyme spore photoproduct lyase . Journal of Biological Inorganic Chemistry. 19. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 465-483.

Silver, Sunshine C., Gardenghi, David J., Naik, Sunil G., Shepard, Eric M., Boi Hanh, Huynh, Szilagyi, Robert K., Broderick, Joan B., Silver, Sunshine C., Gardenghi, David J., Naik, Sunil G., et al.(2014). Combined Mossbauer spectroscopic, multi-edge X-ray absorption spectroscopic, and density functional theoretical study of the radical SAM enzyme spore photoproduct lyase . Journal of Biological Inorganic Chemistry. 19. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 465-483.

Takisawa, Hideyuki, Morishima, Yui, Soma, Shoko, Szilagyi, Robert K., Fujisawa, Kiyoshi(2014). Conversion of Carbon Dioxide to Oxalate by alpha-Ketocarboxylatocopper(II) Complexes . Inorganic Chemistry. 53. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8191-8193.

Yamaguchi, Takahide, Yano, Junko, Yachandra, Vittal K., Szilagyi, Robert K., Yamaguchi, Takahide, Yano, Junko, Yachandra, Vittal K., Szilagyi, Robert K., Kohzuma, Takamitsu(2014). Geometry and electronic structures of axial/rhombic site in pseudoazurin Met16 variants: XAS and DFT investigations . Journal of Biological Inorganic Chemistry. 19. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString S843.

Harris, T.V., Szilagyi, R.K.(2014). Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clusters . Journal of Computational Chemistry. 35. (7). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 540-552.

Takisawa, H., Morishima, Y., Soma, S., Szilagyi, R.K., Fujisawa, K.(2014). Conversion of carbon dioxide to oxalate by α- ketocarboxylatocopper(II) complexes . Inorganic Chemistry. 53. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8191-8193.

Okuda, Yasuhiro, Szilagyi, Robert K., Mori, Seiji, Nishihara, Yasushi(2014). The origin of exo-selectivity in methyl cyanoformate addition onto the C=C bond of norbornene in Pd-catalyzed cyanoesterification . Dalton Transactions. 43. (25). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 9537-9548.

Okuda, Y., Szilagyi, R.K., Mori, S., Nishihara, Y.(2014). The origin of exo-selectivity in methyl cyanoformate addition onto the CC bond of norbornene in Pd-catalyzed cyanoesterification . Dalton Transactions. 43. (25). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 9537-9548.

Kawai, M., Yamaguchi, T., Masaoka, S., Tani, F., Kohzuma, T., Chiang, L., Storr, T., Mieda, K., Ogura, T., Szilagyi, R.K., et al.(2014). Influence of ligand flexibility on the electronic structure of oxidized Ni^III-phenoxide complexes . Inorganic Chemistry. 53. (19). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 10195-10202.

Queen, M.S., Towey, B.D., Murray, K.A., Veldkamp, B.S., Byker, H.J., Szilagyi, R.K.(2013). Electronic structure of [Ni(II)S4] complexes from S K-edge X-ray absorption spectroscopy . Coordination Chemistry Reviews. 257. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 564-578.

Queen, M. S., Towey, B. D., Murray, K. A., Veldkamp, B. S., Byker, H. J., Szilagyi, R. K.(2013). Electronic structure of Ni(II)S-4 complexes from S K-edge X-ray absorption spectroscopy . Coordination Chemistry Reviews. 257. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 564-578.

Mossin, S., Tran, B.L., Adhikari, D., Pink, M., Heinemann, F.W., Sutter, J., Szilagyi, R.K., Meyer, K., Mindiola, D.J.(2012). A mononuclear Fe(III) single molecule magnet with a 3/2↔5/2 spin crossover . Journal of the American Chemical Society. 134. (33). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 13651-13661.

Mossin, Susanne, Tran, Ba L., Adhikari, Debashis, Pink, Maren, Heinemann, Frank W., Sutter, Joerg, Szilagyi, Robert K., Meyer, Karsten, Mindiola, Daniel J.(2012). A Mononuclear Fe(III) Single Molecule Magnet with a 3/2 <-> 5/2 Spin Crossover . Journal of the American Chemical Society. 134. (33). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 13651-13661.

Towey, Bradley D., Szilagyi, Robert K.(2012). Multi-edge XAS investigation of molybdenum and tungsten oxide, sulfide, and selenide . Abstracts of Papers of the American Chemical Society. 243.

Alexander, William A., Fleming, Christopher J., Zhang, Jianming, Hettick, Matthew, Murray, Vanessa, Che, Li, Gardenghi, David J., Szilagyi, Robert K., Minton, Timothy K.(2012). Production of a biomimetic Fe-(I)-S phase on pyrite by atomic-hydrogen: Enhanced catalytic activity in the reduction of nitrogen . Abstracts of Papers of the American Chemical Society. 243.

Giles, L.J., Grigoropoulos, A., Szilagyi, R.K.(2012). Multi-edge X-ray absorption spectroscopy. 1. X-ray absorption near-edge structure analysis of a biomimetic model of FeFe-hydrogenase . Journal of Physical Chemistry A. 116. (50). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 12280-12298.

Giles, L. J., Grigoropoulos, A., Szilagyi, R. K.(2012). Multi-edge X-ray Absorption Spectroscopy. 1. X-ray Absorption near-Edge Structure Analysis of a Biomimetic Model of FeFe-Hydrogenase . Journal of Physical Chemistry A. 116. (50). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 12280-12298.

Rokhsana, Dalia, Howells, Alta E., Dooley, David M., Szilagyi, Robert K.(2012). Role of the Tyr-Cys Cross-link to the Active Site Properties of Galactose Oxidase . Inorganic Chemistry. 51. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3513-3524.

Rokhsana, D., Howells, A.E., Dooley, D.M., Szilagyi, R.K.(2012). Role of the Tyr-Cys cross-link to the active site properties of galactose oxidase . Inorganic Chemistry. 51. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3513-3524.

Singireddy, Soujanya, Gordon, Alexander D., Smirnov, Alexander, Vance, Michael A., Schoonen, Martin A. A., Szilagyi, Robert K., Strongin, Daniel R.(2012). Reduction of Nitrite and Nitrate to Ammonium on Pyrite . Origins of Life and Evolution of Biospheres. 42. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 275-294.

Singireddy, S., Gordon, A.D., Smirnov, A., Vance, M.A., Singireddy, S., Gordon, A.D., Smirnov, A., Vance, M.A., Schoonen, M.A.A., Szilagyi, R.K., et al.(2012). Reduction of Nitrite and Nitrate to Ammonium on Pyrite . Origins of Life and Evolution of Biospheres. 42. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 275-294.

Giles, Logan J., Grigoropoulos, Alexios, Szilagyi, Robert K.(2011). Electron and Spin Density Topology of the H-Cluster and Its Biomimetic Complexes . European Journal of Inorganic Chemistry. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2677-2690.

Giles, L.J., Grigoropoulos, A., Szilagyi, R.K.(2011). Electron and spin density topology of the H-cluster and its biomimetic complexes . European Journal of Inorganic Chemistry. (17). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2677-2690.

Grigoropoulos, A., Szilagyi, R.K.(2011). In silico evaluation of proposed biosynthetic pathways for the unique dithiolate ligand of the H-cluster of [FeFe]-hydrogenase . Journal of Computational Chemistry. 32. (15). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3194-3206.

Harris, Travis V., Szilagyi, Robert K.(2011). Comparative Assessment of the Composition and Charge State of Nitrogenase FeMo-Cofactor . Inorganic Chemistry. 50. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4811-4824.

Harris, T.V., Szilagyi, R.K.(2011). Comparative assessment of the composition and charge state of nitrogenase FeMo-cofactor . Inorganic Chemistry. 50. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4811-4824.

Grigoropoulos, Alexios, Szilagyi, Robert K.(2011). In Silico Evaluation of Proposed Biosynthetic Pathways for the Unique Dithiolate Ligand of the H-cluster of [FeFe]-Hydrogenase . Journal of Computational Chemistry. 32. (15). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3194-3206.

Che, L., Gardenghi, D.J., Szilagyi, R.K., Minton, T.K.(2011). Production of a biomimetic Fe(I)-S phase on pyrite by atomic hydrogen beam surface reactive scattering . Langmuir. 27. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6814-6821.

Vanengelen, M.R., Szilagyi, R.K., Gerlach, R., Lee, B.D., Apel, W.A., Peyton, B.M.(2011). Uranium exerts acute toxicity by binding to pyrroloquinoline quinone cofactor . Environmental Science and Technology. 45. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 937-942.

VanEngelen, Michael R., Szilagyi, Robert K., Gerlach, Robin, Lee, Brady D., Apel, William A., Peyton, Brent M.(2011). Uranium Exerts Acute Toxicity by Binding to Pyrroloquinoline Quinone Cofactor . Environmental Science & Technology. 45. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 937-942.

Che, Li, Gardenghi, David J., Szilagyi, Robert K., Minton, Timothy K.(2011). Production of a Biomimetic Fe-(I)-S Phase on Pyrite by Atomic Hydrogen Beam Surface Reactive Scattering . Langmuir. 27. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6814-6821.

Grigoropoulos, A., Szilagyi, R.K.(2010). Evaluation of biosynthetic pathways for the unique dithiolate ligand of the FeFe hydrogenase H-cluster . Journal of Biological Inorganic Chemistry. 15. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1177-1182.

Grigoropoulos, Alexios, Szilagyi, Robert K.(2010). Evaluation of biosynthetic pathways for the unique dithiolate ligand of the FeFe hydrogenase H-cluster . Journal of Biological Inorganic Chemistry. 15. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1177-1182.

Tenderholt, A.L., Wang, J.-J., Szilagyi, R.K., Holm, R.H., Hodgson, K.O., Hedman, B., Solomon, E.I.(2010). Sulfur K-edge X-ray absorption spectroscopy and density functional calculations on Mo(IV) and Mo(VI)=O Bis-dithiolenes: Insights into the mechanism of oxo transfer in DMSO reductase and related functional analogues . Journal of the American Chemical Society. 132. (24). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8359-8371.

Tenderholt, Adam L., Wang, Jun-Jieh, Szilagyi, Robert K., Holm, Richard H., Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.(2010). Sulfur K-Edge X-ray Absorption Spectroscopy and Density Functional Calculations on Mo(IV) and Mo(VI)=O Bis-dithiolenes: Insights into the Mechanism of Oxo Transfer in DMSO Reductase and Related Functional Analogues . Journal of the American Chemical Society. 132. (24). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8359-8371.

Grigoropoulos, Alexios G., Szilagyi, Robert K.(2010). Theoretical evaluation of biosynthetic pathways for the unique dithiolate ligand of the H-cluster in [FeFe]-hydrogenases . Abstracts of Papers of the American Chemical Society. 239.

Edwards, Ethan J., Giles, Logan J., Grigoropoulos, Alexios G., Szilagyi, Robert K.(2009). Inorganic synthesis of biomimetic Fe - S clusters that resemble the H-cluster of Fe-only hydrogenases . Abstracts of Papers of the American Chemical Society. 237.

Holman, Karen L. McFarlane, Harris, Travis V., Szilagyi, Robert K.(2009). Electronic structural investigations of Ru-containing anticancer prodrugs using XANES and DFT . Abstracts of Papers of the American Chemical Society. 237.

Harris, T.V., Szilagyi, R.K., McFarlane Holman, K.L.(2009). Electronic structural investigations of ruthenium compounds and anticancer prodrugs . Journal of Biological Inorganic Chemistry. 14. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 891-898.

Harris, Travis V., Szilagyi, Robert K., Holman, Karen L. McFarlane(2009). Electronic structural investigations of ruthenium compounds and anticancer prodrugs . Journal of Biological Inorganic Chemistry. 14. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 891-898.

Mulder, David W., Ortillo, Danilo O., Gardenghi, David J., Naumov, Anatoli V., Ruebush, Shane S., Szilagyi, Robert K., Huynh, BoiHanh, Broderick, Joan B., Peters, John W.(2009). Activation of HydA(Delta EFG) Requires a Preformed [4Fe-4S] Cluster . Biochemistry. 48. (26). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6240-6248.

Kirtley, John David, Szilagyi, Robert K.(2009). First principle simulations of coordination compounds with thermochromic behavior . Abstracts of Papers of the American Chemical Society. 237.

Rokhsana, Dalia, Dooley, David M., Szilagyi, Robert K.(2009). Impact of metal, Tyr-Cys crosslink and the outer-sphere residues on the geometric and electronic structures for the catalytic site in galactose oxidase . Abstracts of Papers of the American Chemical Society. 237. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 587.

Grigoropoulos, Alexios G., Giles, Logan J., Szilagyi, Robert K.(2009). Level of theory dependence of the ground state electronic structures of biomimetic [2Fe]-clusters of the H-cluster . Abstracts of Papers of the American Chemical Society. 237.

Giles, Logan J., Grigoropoulos, Alexios G., Szilagyi, Robert K.(2009). Multiedge X-ray absorption spectroscopic characterization of biomimetic analogs of the H-cluster of Fe-only hydrogenases . Abstracts of Papers of the American Chemical Society. 237.

Gardenghi, David J., Douglas, Trevor, Szilagyi, Robert K.(2009). Multiedge XAS investigation of Fe-S minerals, nanoparticles, and clusters . Abstracts of Papers of the American Chemical Society. 237.

Burbank, Katherine, Walker, Ethan, Livinghouse, Tom, Szilagyi, Robert K.(2009). Molecular mechanism and origin of enantioselectivity in intramolecular alkene hydroamination catalyzed by Group III metal with thiophosphinic amidate ligands . Abstracts of Papers of the American Chemical Society. 237.

Mankad, N.P., Antholine, W.E., Szilagyi, R.K., Peters, J.C.(2009). Three-coordinate copper(I)amido and aminyl radical complexes . Journal of the American Chemical Society. 131. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3878-3880.

Mankad, Neal P., Antholine, William E., Szilagyi, Robert K., Peters, Jonas C.(2009). Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes . Journal of the American Chemical Society. 131. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3878-+.

Mulder, D.W., Ortillo, D.O., Gardenghi, D.J., Naumov, A.V., Ruebush, S.S., Szilagyi, R.K., Huynh, B., Broderick, J.B., Peters, J.W.(2009). Activation of HydAΔEFG requires a preformed [4Fe-4S] cluster . Biochemistry. 48. (26). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6240-6248.

Harris, Travis V., Szilagyi, Robert K.(2009). What do the sulfides know about FeMo-co? . Abstracts of Papers of the American Chemical Society. 237.

Szilagyi, Robert K.(2008). PHYS 296-Probing noninnocent ligands in organometallic chemistry . Abstracts of Papers of the American Chemical Society. 236.

Harkins, S.B., Mankad, N.P., Miller, A.J.M., Szilagyi, R.K., Peters, J.C.(2008). Probing the electronic structures of [CU<inf>2</inf>(μ-XR <inf>2</inf>)]ⁿ⁺ diamond cores as a function of the bridging X atom (X = N or P) and charge (n = 0, 1, 2) . Journal of the American Chemical Society. 130. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3478-3485.

Harkins, Seth B., Mankad, Neal P., Miller, Alexander J. M., Szilagyi, Robert K., Peters, Jonas C.(2008). Probing the electronic structures of [Cu(2)(mu-XR(2))](n+) diamond cores as a function of the bridging X atom (X = N or P) and charge (n=0, 1, 2) . Journal of the American Chemical Society. 130. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3478-3485.

Schenk, G., Peralta, R.A., Batista, S.C., Bortoluzzi, A.J., Szpoganicz, B., Dick, A.K., Herrald, P., Hanson, G.R., Szilagyi, R.K., Riley, M.J., et al.(2008). Probing the role of the divalent metal ion in uteroferrin using metal ion replacement and a comparison to isostructural biomimetics . Journal of Biological Inorganic Chemistry. 13. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 139-155.

Schenk, Gerhard, Peralta, Rosely A., Batista, Suzana Cimara, Bortoluzzi, Adailton J., Szpoganicz, Bruno, Dick, Andrew K., Herrald, Paul, Schenk, Gerhard, Peralta, Rosely A., Batista, Suzana Cimara, et al.(2008). Probing the role of the divalent metal ion in uteroferrin using metal ion replacement and a comparison to isostructural biomimetics . Journal of Biological Inorganic Chemistry. 13. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 139-155.

Adhikari, Debashis, Mossin, Susanne, Basuli, FaIguni, Huffman, John C., Szilagyi, Robert K., Meyer, Karsten, Mindiola, Daniel J.(2008). Structural, spectroscopic, and theoretical elucidation of a redox-active pincer-type ancillary applied in catalysis . Journal of the American Chemical Society. 130. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3676-3682.

Rokhsana, D., Dooley, D.M., Szilagyi, R.K.(2008). Systematic development of computational models for the catalytic site in galactose oxidase: Impact of outer-sphere residues on the geometric and electronic structures . Journal of Biological Inorganic Chemistry. 13. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 371-383.

Rokhsana, Dalia, Dooley, David M., Szilagyi, Robert K.(2008). Systematic development of computational models for the catalytic site in galactose oxidase: impact of outer-sphere residues on the geometric and electronic structures . Journal of Biological Inorganic Chemistry. 13. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 371-383.

Boysen, R.B., Szilagyi, R.K.(2008). Development of palladium L-edge X-ray absorption spectroscopy and its application for chloropalladium complexes . Inorganica Chimica Acta. 361. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1047-1058.

Boysen, Ryan B., Szilagyi, Robert K.(2008). Development of palladium L-edge X-ray absorption spectroscopy and its application for chloropalladium complexes . Inorganica Chimica Acta. 361. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1047-1058.

Pandey, A.S., Harris, T.V., Giles, L.J., Peters, J.W., Szilagyi, R.K.(2008). Dithiomethylether as a ligand in the hydrogenase H-cluster . Journal of the American Chemical Society. 130. (13). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4533-4540.

Pandey, Arti S., Harris, Travis V., Giles, Logan J., Peters, John W., Szilagyi, Robert K.(2008). Dithiomethylether as a ligand in the hydrogenase H-cluster . Journal of the American Chemical Society. 130. (13). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4533-4540.

Tenderholt, Adam L., Szilagyi, Robert K., Holm, Richard H., Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.(2008). Electronic control of the &quot;Bailar Twist&quot; in formally d(0)-d(2) molybdenum tris(dithiolene) complexes: A sulfur K-edge X-ray absorption spectroscopy and density functional theory study . Inorganic Chemistry. 47. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6382-6392.

Leung, B.O., Jalilehvand, F., Szilagyi, R.K.(2008). Electronic structure of transition metal-cysteine complexes from X-ray absorption spectroscopy . Journal of Physical Chemistry B. 112. (15). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4770-4778.

Tenderholt, A.L., Szilagyi, R.K., Holm, R.H., Hodgson, K.O., Hedman, B., Solomon, E.I.(2008). Electronic control of the "bailar twist" in formally d 0-d2 molybdenum tris(dithiolene) complexes: A sulfur K-edge X-ray absorption spectroscopy and density functional theory study . Inorganic Chemistry. 47. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6382-6392.

Leung, Bonnie O., Jalilehvand, Farideh, Szilagyi, Robert K.(2008). Electronic structure of transition metal - Cysteine complexes from X-ray absorption Spectroscopy . Journal of Physical Chemistry B. 112. (15). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4770-4778.

Tenderholt, Adam L., Szilagyi, Robert K., Holm, Richard H., Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.(2008). INOR 566-Sulfur K-edge X-ray absorption spectroscopic and density functional theory studies of metal bis- and tris-dithiolene complexes . Abstracts of Papers of the American Chemical Society. 236.

Adhikari, D., Mossin, S., Basuli, F., Huffman, J.C., Szilagyi, R.K., Meyer, K., Mindiola, D.J.(2008). Structural, spectroscopic, and theoretical elucidation of a redox-active pincer-type ancillary applied in catalysis . Journal of the American Chemical Society. 130. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3676-3682.

Frank, Patrick, Benfatto, Maurizio, Szilagyi, Robert K., D&#39;Angelo, Paola, Frank, Patrick, Benfatto, Maurizio, Szilagyi, Robert K., D&#39;Angelo, Paola, Della Longa, Stefano, Hodgson, Keith O.(2007). The solution structure of [Cu(aq)](2+) and its implications for rack-induced bonding in blue copper protein active sites (vol 44, pg 1922, 2005) . Inorganic Chemistry. 46. (18). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 7684.

Harris, Travis V., Holman, Karen L. McFarlane, Szilagyi, Robert K., Harris, Travis V., Holman, Karen L. McFarlane, Szilagyi, Robert K.(2007). X-ray absorption and density functional study of the anticancer drug NAMI-A and related compounds . Abstracts of Papers of the American Chemical Society. 233. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 94.

Szilagyi, Robert K.(2007). Toward the development of the catalytic wave function of FeFe-hydrogenases . Abstracts of Papers of the American Chemical Society. 233. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 254.

Szilagyi, Robert K.(2007). Development of Pd L-edge X-ray absorption spectroscopy and its application to chloropalladium complexes . Abstracts of Papers of the American Chemical Society. 233. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 213.

Adhikari, Debashis, Basuli, Falguni, Szilagyi, Robert K., Huffman, John C., Mindiola, Daniel J., Adhikari, Debashis, Basuli, Falguni, Szilagyi, Robert K., Huffman, John C., Mindiola, Daniel J.(2007). Late transition metal chemistry supported by a rigid PNP pincer-type ligand . Abstracts of Papers of the American Chemical Society. 233. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 229.

Tenderholt, A.L., Szilagyi, R.K., Holm, R.H., Hodgson, K.O., Hedman, B., Solomon, E.I., Tenderholt, A.L., Szilagyi, R.K., Holm, R.H., Hodgson, K.O., et al.(2007). Sulfur K-edge XAS of W^V{double bond, long}O vs. Mo^V{double bond, long}O bis(dithiolene) complexes: Contributions of relativistic effects to electronic structure and reactivity of tungsten enzymes . Journal of Inorganic Biochemistry. 101. (11-12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1594-1600.

Sarangi, R., George, S.D., Rudd, D.J., Szilagyi, R.K., Ribas, X., Rovira, C., Sarangi, R., George, S.D., Rudd, D.J., Szilagyi, R.K., et al.(2007). Sulfur K-edge X-ray absorption spectroscopy as a probe of ligand-metal bond covalency: Metal vs ligand oxidation in copper and nickel dithiolene complexes . Journal of the American Chemical Society. 129. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2316-2326.

Tenderholt, Adam L., Szilagyi, Robert K., Holm, Richard H., Hodgson, Keith ., Hedman, Britt, Solomon, Edward ., Tenderholt, Adam L., Szilagyi, Robert K., Holm, Richard H., Hodgson, Keith ., et al.(2007). Sulfur K-edge XAS of W-V=O vs. Mo-V=O bis(dithiolene) complexes: Contributions of relativistic effects to electronic structure and reactivity of tungsten enzymes . Journal of Inorganic Biochemistry. 101. (11-12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1594-1600.

Sarangi, Ritimukta, George, Serena DeBeer, Rudd, Deanne Jackson, Szilagyi, Robert K., Ribas, Xavi, Sarangi, Ritimukta, George, Serena DeBeer, Rudd, Deanne Jackson, Szilagyi, Robert K., Ribas, Xavi, et al.(2007). Sulfur K-edge X-ray absorption spectroscopy as a probe of ligand-metal bond covalency: Metal vs ligand oxidation in copper and nickel dithiolene complexes . Journal of the American Chemical Society. 129. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2316-2326.

Frank, P., Benfatto, M., Szilagyi, R.K., D&#39;Angelo, P., Della Longa, S., Hodgson, K.O.(2007). Erratum: The solution structure of [Cu(aq)]2+ and its implications for rack-induced bonding in blue copper protein active sites (Inorganic Chemistry (2005) 44 (1922-1933)) . Inorganic Chemistry. 46. (18).

Sarma, R., Mulder, D.W., Brecht, E., Szilagyi, R.K., Sarma, R., Mulder, D.W., Brecht, E., Szilagyi, R.K., Seefeldt, L.C., Tsuruta, H., et al.(2007). Probing the MgATP-bound conformation of the nitrogenase Fe protein by solution small-angle X-ray scattering . Biochemistry. 46. (49). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 14058-14066.

Sarma, Ranjana, Mulder, David W., Brecht, Eric, Szilagyi, Robert K., Seefeldt, Lance C., Tsuruta, Hiro, Peters, John W.(2007). Probing the MgATP-bound conformation of the nitrogenase Fe protein by solution small-angle X-ray scattering . Biochemistry. 46. (49). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 14058-14066.

Sen, S., Krishnakumar, A., McClead, J., Johnson, M.K., Seefeldt, L.C., Szilagyi, R.K., Peters, J.W.(2006). Insights into the role of nucleotide-dependent conformational change in nitrogenase catalysis: Structural characterization of the nitrogenase Fe protein Leu127 deletion variant with bound MgATP . Journal of Inorganic Biochemistry. 100. (5-6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1041-1052.

Peters, JW, Szilagyi, RK, Peters, JW, Szilagyi, RK(2006). Exploring new frontiers of nitrogenase structure and mechanism . Current Opinion in Chemical Biology. 10. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 101-108.

Sen, S, Krishnakumar, A, Sen, S, Krishnakumar, A, McClead, J, Johnson, MK, Seefeldt, LC, Szilagyi, RK, Peters, JW(2006). Insights into the role of nucleotide-dependent conformational change in nitrogenase catalysis: Structural characterization of the nitrogenase Fe protein Leu127 deletion variant with bound MgATP . Journal of Inorganic Biochemistry. 100. (5-6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1041-1052.

Peters, J.W., Szilagyi, R.K.(2006). Exploring new frontiers of nitrogenase structure and mechanism . Current Opinion in Chemical Biology. 10. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 101-108.

Szilagyi, Robert K., Szilagyi, Robert K., Winslow, Mark A.(2006). On the accuracy of density functional theory for iron - Sulfur clusters . Journal of Computational Chemistry. 27. (12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1385-1397.

Szilagyi, R.K., Szilagyi, R.K., Winslow, M.A.(2006). On the accuracy of density functional theory for iron-sulfur clusters . Journal of Computational Chemistry. 27. (12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1385-1397.

Szilagyi, Robert K., Szilagyi, Robert K., Winslow, Mark A.(2006). On the accuracy of density functional theory for iron-sulfur clusters . Abstracts of Papers of the American Chemical Society. 231.

Schwab, D.E., Schwab, D.E., Tard, C., Brecht, E., Peters, J.W., Pickett, C.J., Szilagyi, R.K.(2006). On the electronic structure of the hydrogenase H-cluster . Chemical Communications. (35). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3696-3698.

Schwab, David E., Schwab, David E., Tard, Cedric, Brecht, Eric, Peters, John W., Pickett, Christopher J., Szilagyi, Robert K.(2006). On the electronic structure of the hydrogenase H-cluster . Chemical Communications. (35). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3696-3698.

Rokhsana, Dalia, Dooley, David M., Szilagyi, Robert K.(2006). Structure of the oxidized active site of galactose oxidase from realistic in silico models . Journal of the American Chemical Society. 128. (49). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 15550-15551.

Rokhsana, D., Dooley, D.M., Szilagyi, R.K.(2006). Structure of the oxidized active site of galactose oxidase from realistic in silico models . Journal of the American Chemical Society. 128. (49). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 15550-15551.

Peters, J.W., Szilagyi, R.K., Naumov, A., Douglas, T., Peters, J.W., Szilagyi, R.K., Naumov, A., Douglas, T.(2006). A radical solution for the biosynthesis of the H-cluster of hydrogenase . FEBS Letters. 580. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 363-367.

Peters, JW, Szilagyi, RK, Naumov, A, Douglas, T(2006). A radical solution for the biosynthesis of the H-cluster of hydrogenase . Febs Letters. 580. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 363-367.

Szilagyi, Robert K., Schwab, David E., Pickett, Christopher J., Tard, Cedric, Peters, John W., Brecht, Eric(2006). INOR 880-Delocalized electronic structure of hydrogenase H-cluster probed by X-ray absorption spectroscopy and density functional theory . Abstracts of Papers of the American Chemical Society. 232.

Peters, John W., Szilagyi, Robert K., Naumov, Anatoli(2006). A radical solution for the biosynthesis of the H-cluster of hydrogenase with relevance to prebiotic chemistry . Astrobiology. 6. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 237.

Mulder, DW, Szilagyi, RK(2005). Molecular mechanical modeling of iron-sulfur metalloproteins I: rubredoxins . Abstracts of Papers of the American Chemical Society. 229. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString U1003.

Szilagyi, RK, Schwab, DE(2005). Sulfur K-edge X-ray absorption spectroscopy as an experimental probe for S-nitroso proteins . Biochemical and Biophysical Research Communications. 330. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 60-64.

Ananikov, V.P., Szilagyi, R., Morokuma, K., Musaev, D.G.(2005). Can steric effects induce the mechanism switch in the rhodium-catalyzed imine boration reaction? a density functional and ONIOM study . Organometallics. 24. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1938-1946.

Ananikov, VP, Szilagyi, R, Morokuma, K, Musaev, DG(2005). Can steric effects induce the mechanism switch in the rhodium-catalyzed imine boration reaction? A density functional and ONIOM study . Organometallics. 24. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1938-1946.

Solomon, E.I., Hedman, B., Hodgson, K.O., Dey, A., Szilagyi, R.K.(2005). Ligand K-edge X-ray absorption spectroscopy: Covalency of ligand-metal bonds . Coordination Chemistry Reviews. 249. (1-2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 97-129.

Solomon, EI, Hedman, B, Hodgson, KO, Dey, A, Szilagyi, RK(2005). Ligand K-edge X-ray absorption spectroscopy: covalency of ligand-metal bonds . Coordination Chemistry Reviews. 249. (1-2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 97-129.

Szilagyi, R.K., Schwab, D.E.(2005). Sulfur K-edge X-ray absorption spectroscopy as an experimental probe for S-nitroso proteins . Biochemical and Biophysical Research Communications. 330. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 60-64.

Schwab, DE, Szilagyi, RK, Luchsinger, BP, Singel, DJ(2005). Sulfur K-edge X-ray absorption spectroscopy as an experimental probe for S-nitroso proteins . Abstracts of Papers of the American Chemical Society. 230. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString U605.

Frank, P., Benfatto, M., Szilagyi, R.K., D&#39;Angelo, P., Della Longa, S., Hodgson, K.O.(2005). The solution structure of [Cu(aq)]²⁺ and its implications for rack-induced bonding in blue copper protein active sites . Inorganic Chemistry. 44. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1922-1933.

Frank, P, Benfatto, M, Szilagyi, RK, D&#39;Angelo, P, Della Longa, S, Hodgson, KO(2005). The solution structure of [Cu(aq)](2+) and its implications for rack-induced bonding in blue copper protein active . Inorganic Chemistry. 44. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1922-1933.

Solomon, E.I., Szilagyi, R.K., DeBeer George, S., Basumallick, L.(2004). Electronic Structures of Metal Sites in Proteins and Models: Contributions to Function in Blue Copper Proteins . Chemical Reviews. 104. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 419-458.

Szilagyi, R.K., Frank, P., George, S.D., Hedman, B., Hodgson, K.O.(2004). High covalence in CuSO<inf>4</inf> and the radicalization of sulfate: An X-ray absorption and density functional study . Inorganic Chemistry. 43. (26). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8318-8329.

Szilagyi, RK, Frank, P, George, SD, Hedman, B, Hodgson, KO(2004). High covalence in CuSO4 and the radicalization of sulfate: An X-ray absorption and density functional study . Inorganic Chemistry. 43. (26). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 8318-8329.

Solomon, EI, Szilagyi, RK, George, SD, Basumallick, L(2004). Electronic structures of metal sites in proteins and models: Contributions to function in blue copper proteins . Chemical Reviews. 104. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 419-458.

Szilagyi, R.K., Bryngelson, P.A., Maroney, M.J., Hedman, B., Hodgson, K.O., Solomon, E.I.(2004). S K-Edge X-ray Absorption Spectroscopic Investigation of the Ni-Containing Superoxide Dismutase Active Site: New Structural Insight into the Mechanism . Journal of the American Chemical Society. 126. (10). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3018-3019.

Szilagyi, RK, Bryngelson, PA, Maroney, MJ, Hedman, B, Hodgson, KO, Solomon, EI(2004). S K-edge X-ray absorption spectroscopic investigation of the Ni-containing superoxide dismutase active site: New structural insight into the mechanism . Journal of the American Chemical Society. 126. (10). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3018-3019.

Szabo, M.J., Szilagyi, R.K., Bencze, L.(2003). Density functional studies of [(alkoxy-carbonyl)methyl]cobalt tricarbonyl triphenylphosphine complexes: An α-ester η3-coordination . Inorganica Chimica Acta. 344. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 158-168.

Szabo, MJ, Szilagyi, RK, Bencze, L(2003). Density functional studies of [(alkoxy-carbonyl)methyl]cobalt tricarbonyl triphenylphosphine complexes: an alpha-ester eta(3)-coordination . Inorganica Chimica Acta. 344. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 158-168.

Szilagyi, R.K., Lim, B.S., Glaser, T., Holm, R.H., Hedman, B., Hodgson, K.O., Solomon, E.I.(2003). Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge x-ray absorption spectroscopy . Journal of the American Chemical Society. 125. (30). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 9158-9169.

George, S.D., Basumallick, L., Szilagyi, R.K., Randall, D.W., Hill, M.G., Nersissian, A.M., Valentine, J.S., Hedman, B., Hodgson, K.O., Solomon, E.I.(2003). Spectroscopic investigation of stellacyanin mutants: Axial ligand interactions at the blue copper site . Journal of the American Chemical Society. 125. (37). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 11314-11328.

Basumallick, L., Szilagyi, R.K., Zhao, Y., Shapleigh, J.P., Scholes, C.P., Solomon, E.I.(2003). Spectroscopic Studies of the Met182Thr Mutant of Nitrite Reductase: Role of the Axial Ligand in the Geometric and Electronic Structure of Blue and Green Copper Sites . Journal of the American Chemical Society. 125. (48). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 14784-14792.

Palmer, A.E., Szilagyi, R.K., Cherry, J.R., Jones, A., Xu, F., Solomon, E.I.(2003). Spectroscopic characterization of the Leu513His variant of fungal laccase: Effect of increased axial ligand interaction on the geometric and electronic structure of the type 1 Cu site . Inorganic Chemistry. 42. (13). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4006-4017.

Szilagyi, RK, Lim, BS, Glaser, T, Holm, RH, Hedman, B, Hodgson, KO, Solomon, EI(2003). Description of the ground state wave functions of Ni dithiolenes using sulfur K-edge X-ray absorption spectroscopy . Journal of the American Chemical Society. 125. (30). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 9158-9169.

Szilagyi, R.K., Metz, M., Solomon, E.I.(2002). Spectroscopic calibration of modern density functional methods using [CuCl<inf>4</inf>]^2- . Journal of Physical Chemistry A. 106. (12). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2994-3007.

Szilagyi, R.K., Musaev, D.G., Morokuma, K.(2002). Hydrogen scrambling in [(C<inf>5</inf>Me<inf>5</inf>)Os(dmpm)(CH<inf>3</inf>)H]⁺. A density functional and ONIOM study . Organometallics. 21. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 555-564.

Szilagyi, R.K., Solomon, E.I.(2002). Electronic structure and its relation to function in copper proteins . Current Opinion in Chemical Biology. 6. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 250-258.

George, S.D., Metz, M., Szilagyi, R.K., Wang, H., Cramer, S.P., Lu, Y., Tolman, W.B., Hedman, B., Hodgson, K.O., Solomon, E.I.(2001). A quantitative description of the ground-state wave function of CuA by x-ray absorption spectroscopy: Comparison to plastocyanin and relevance to electron transfer . Journal of the American Chemical Society. 123. (24). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 5757-5767.

Szilagyi, R.K., Musaev, D.G., Morokuma, K.(2001). Theoretical studies of biological nitrogen fixation. I. Density functional modeling of the Mo-Site of the FeMo-Cofactor . Inorganic Chemistry. 40. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 766-775.

Szab&#243;, M., Szil&#225;gyi, R., Bencze, L., Boese, R., Zucchi, C., Caglioti, L., P&#225;lyi, G.(2000). Diastereoselection through chiral conformations . Enantiomer. 5. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 549-559.

Szilagyi, R.K., Musaev, D.G., Morokuma, K.(2000). Theoretical studies of biological nitrogen fixation. Part II. Hydrogen bonded networks as possible reactant and product channels . Journal of Molecular Structure: THEOCHEM. 506. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 131-146.

Szab&#243;, M.J., Szil&#225;gyi, R.K., Unaleroglu, C., Bencze, L.(1999). DTMM and COSMIC molecular mechanics parameters for alkylsilanes . Journal of Molecular Structure: THEOCHEM. 490. (1-3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 219-232.

Szab&#243;, M.J., Szil&#225;gyi, R.K., Bencze, L.(1998). DTMM/COSMIC molecular mechanics parameters for alkylphosphines . Journal of Molecular Structure: THEOCHEM. 427. (1-3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 55-64.

Szilagyi, R.K., Frenking, G.(1997). Structure and bonding of the isoelectronic hexacarbonyls [Hf(CO)<inf>6</inf>]^2-, [Ta(CO)<inf>6</inf>]^-, W(CO)<inf>6</inf>, [Re(CO)<inf>6</inf>]⁺, [Os(CO)<inf>6</inf>]²⁺, and [Ir(CO)<inf>6</inf>]³⁺: A theoretical study . Organometallics. 16. (22). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4807-4815.

Bencze, L., Szil&#225;gyi, R.(1995). Structure and reactivity of metathesis-active tungsta-carbenes . Journal of Organometallic Chemistry. 505. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 81-83.

Bencze, L., Szilagyi, R.(1994). III. Modelling of the "well-defined" carbenes. Molecular mechanical studies on the olefin metathesis reaction . Journal of Organometallic Chemistry. 475. (1-2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 183-192.

Bencze, L., Szilagyi, R.(1994). Molecular mechanical studies on olefin metathesis reaction. Part 2: Modelling of {W[C(CH<inf>2</inf>)<inf>3</inf>CH<inf>2</inf>] (OCH<inf>2</inf>-t-Bu)<inf>2</inf>Br<inf>2</inf>}<inf>2</inf> and W[C(CH<inf>2</inf>)<inf>3</inf>CH<inf>2</inf>] (OCH<inf>2</inf>-t-Bu)<inf>2</inf>Br<inf>2</inf> ·GaBr<inf>3</inf> . Journal of Molecular Catalysis. 90. (1-2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 157-170.

Bencze, L., Szilagyi, R.(1994). Molecular mechanical studies on the olefin metathesis reaction. I. Development and evaluation of tungsten carbene parameters: METMOD1 . Journal of Organometallic Chemistry. 465. (1-2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 211-219.

KRISTOF, T, SALAMON, T, SZILAGYI, R(1992). APPLICATION OF GIBBS FREE-ENERGY MINIMIZATION FOR THE DETERMINATION OF ELECTROCHEMICAL EQUILIBRIA IN MULTICOMPONENT MULTIPHASE AQUEOUS SYSTEMS . Hungarian Journal of Industrial Chemistry. 20. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 45-50.

Bencze, L., Szilagyi, R.(1992). Molecular mechanics studies on the stereoselectivity of WCl6/SnMe4-catalyzed ring-opening polymerization of norbornene . Journal of Molecular Catalysis. 76. (1-3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 145-156.

BENCZE, L, SZILAGYI, R(1992). MOLECULAR MECHANICS STUDIES ON THE STEREOSELECTIVITY OF WCL6/SNME4-CATALYZED RING-OPENING POLYMERIZATION OF NORBORNENE . Journal of Molecular Catalysis. 76. (1-3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 145-156.

REPORT

Robert K. Szilagyi (2017). Optimized molecular structures for nanokaolinite dehydration and dehydroxylation toward the formation of nanometakaolinite .

Robert K. Szilagyi (2016). Computational models for dual Cu sites in Pseudoazurin from Achromobacter cycloclastes (AcPAz) [dataset] .

BOOK CHAPTER

Harris, Travis V., Szilagyi, Robert K.(2011). Nitrogenase Structure and Function Relationships by Density Functional Theory . Nitrogen Fixation: Methods and Protocols. 766. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 267-291.

BOOK

Harris, T.V., Szilagyi, R.K.(2011). Nitrogenase structure and function relationships by density functional theory . Methods in Molecular Biology. 766. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 267-291.

Peters, J. W., Sarma, R., Mulder, D. W., Tsuruta, H., Szilagyi, R. K., Seefeldt, L. C.(2008). THE ROLE OF IRON PROTEIN-NUCLEOTIDE INTERACTION AND CONFORMATIONAL CHANGE IN NITROGENASE CATALYSIS . Biological Nitrogen Fixation: Towards Poverty Alleviation through Sustainable Agriculture. 42. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 335-338.

B&#246;hme, U., Schluttig, B., Szil&#225;gyi, R.K.(2008). Development of Force Field Parameters for Amino-Substituted Organodisilanes . Organosilicon Chemistry I: From Molecules to Materials. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 277-281.

OTHER

Sen, S., Krishnakumar, A., McClead, J., Johnson, M. K., Sen, S., Krishnakumar, A., McClead, J., Johnson, M. K., Seefeldt, L. C., Szilagyi, R. K., et al.(2006). 2C8V: Insights into the role of nucleotide-dependent conformational change in nitrogenase catalysis: Structural characterization of the nitrogenase Fe protein Leu127 deletion variant with bound MgATP . Worldwide Protein Data Bank.