Simone Raugei

Senior Scientist

  • United States

  • 2899 Citations
  • 34 h-Index
19972019
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  • 8 Similar Profiles
Molecular dynamics Chemical Compounds
Protons Chemical Compounds
Electrocatalysts Chemical Compounds
Hydrogen Chemical Compounds
Oxidation Chemical Compounds
molecular dynamics Physics & Astronomy
Catalysts Chemical Compounds
Amines Chemical Compounds

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Research Output 1997 2019

  • 2899 Citations
  • 34 h-Index
  • 102 Article
  • 3 Conference contribution
  • 2 Chapter
  • 2 Review article
1 Citation (Scopus)

Anion control of tautomeric equilibria: Fe-H: vs. N-H influenced by NH⋯F hydrogen bonding

Chambers, G. M., Johnson, S. I., Raugei, S. & Bullock, R. M., Jan 1 2019, In : Chemical Science. 10, 5, p. 1410-1418 9 p.

Research output: Contribution to journalArticle

Carbon Monoxide
Anions
Protonation
Hydrogen bonds
Iron

Chokepoints in Mechanical Coupling Associated with Allosteric Proteins: The Pyruvate Kinase Example

Johnson, L. E., Ginovska, B., Fenton, A. W. & Raugei, S., Jan 1 2019, In : Biophysical Journal.

Research output: Contribution to journalArticle

Pyruvate Kinase
Energy Transfer
Proteins
Communication
Allosteric Regulation

Design and reactivity of pentapyridyl metal complexes for ammonia oxidation

Johnson, S. I., Heins, S. P., Klug, C. M., Wiedner, E., Bullock, R. M. & Raugei, S., Jan 1 2019, In : Chemical Communications. 55, 35, p. 5083-5086 4 p.

Research output: Contribution to journalArticle

Coordination Complexes
Metal complexes
Ammonia
Oxidation
Hydrogen

High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)

Hoeke, V., Tociu, L., Case, D. A., Seefeldt, L. C., Raugei, S. & Hoffman, B. M., Jul 31 2019, In : Journal of the American Chemical Society. 141, 30, p. 11984-11996 13 p.

Research output: Contribution to journalArticle

Nitrogenase
Electron Spin Resonance Spectroscopy
Hydrides
Spectrum Analysis
Spectroscopy

Mechanism of Catalytic O2 Reduction by Iron Tetraphenylporphyrin

Pegis, M. L., Martin, D. J., Wise, C. F., Brezny, A. C., Johnson, S. I., Johnson, L. E., Kumar, N., Raugei, S. & Mayer, J. M., Jan 1 2019, In : Journal of the American Chemical Society.

Research output: Contribution to journalArticle

Protons
Iron
Porphyrins
Oxygen
Kinetics