All Stories

  1. EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(iv)–Fe(iii) center of class I RNR from Chlamydia trachomatis

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Professor Louis Noodleman

  2. Broken Symmetry States of Iron-Sulfur Clusters

    Article • December 2011, Wiley

    Professor Louis Noodleman

  3. Phthalate Dioxygenase Reductase

    Article • December 2011, Wiley

    Professor Louis Noodleman

  4. DFT Calculations for Intermediate and Active States of the Diiron Center with a Tryptophan or Tyrosine Radical inEscherichia coliRibonucleotide Reductase

    Article • Inorganic Chemistry, March 2011, American Chemical Society (ACS)

    Professor Louis Noodleman

  5. Modeling the MoFe Nitrogenase System with Broken Symmetry Density Functional Theory

    Article • January 2011, Springer Science + Business Media

    Professor Louis Noodleman

  6. Spin Coupling in Roussin’s Red and Black Salts

    Article • Chemistry - A European Journal, July 2010, Wiley

    Professor Louis Noodleman

  7. Broken Symmetry States of Iron-Sulfur Clusters

    Article • September 2009, Wiley

    Professor Louis Noodleman

  8. Ligand-BoundS=1/2FeMo-Cofactor of Nitrogenase: Hyperfine Interaction Analysis and Implication for the Central Ligand X Identity

    Article • Inorganic Chemistry, July 2008, American Chemical Society (ACS)

    Professor Louis Noodleman

  9. Iron-Sulfur Clusters: Properties and Functions

    Article • May 2008, Wiley

    Professor Louis Noodleman

  10. Phthalate Dioxygenase Reductase

    Article • April 2006, Wiley

    Professor Louis Noodleman

  11. Seven clues to the origin and structure of class-I ribonucleotide reductase intermediate X

    Article • Journal of Inorganic Biochemistry, April 2006, Elsevier

    Professor Louis Noodleman

  12. Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates.

    Article • ChemInform, June 2005, Wiley

    Professor Louis Noodleman

  13. Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems

    Article • ChemInform, May 2004, Wiley

    Professor Louis Noodleman

  14. Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems

    Article • Chemical Reviews, February 2004, American Chemical Society (ACS)

    Professor Louis Noodleman

  15. Temperature-Dependent Behavior of Protein-Chromophore Interactions: A Theoretical Study of a Blue Fluorescent Antibody

    Article • ChemPhysChem, August 2003, Wiley

    Professor Louis Noodleman

  16. Density Functional and Reduction Potential Calculations of Fe4S4Clusters

    Article • Journal of the American Chemical Society, February 2003, American Chemical Society (ACS)

    Professor Louis Noodleman

  17. Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles

    Article • Journal of the American Chemical Society, October 2002, American Chemical Society (ACS)

    Professor Louis Noodleman

  18. Multiple reactive immunization towards the hydrolysis of organophosphorus nerve agents: hapten design and synthesis

    Article • Bioorganic & Medicinal Chemistry, December 2001, Elsevier

    Professor Louis Noodleman

  19. Modern Computational Approaches to Modeling Polynuclear Transition Metal Complexes

    Article • January 2000, Springer Science + Business Media

    Professor Louis Noodleman

  20. Using antibodies to perturb the coordination sphere of a transition metal complex

    Article • Nature, July 1996, Springer Science + Business Media

    Ehud Keinan, Professor Louis Noodleman

  21. Density-functional calculations of spin coupling in [Fe4S4]3+ clusters

    Article • International Journal of Quantum Chemistry, February 1995, Wiley

    Professor Louis Noodleman

  22. Density functional calculations of redox potentials for FeS clusters including solvation effects

    Article • Journal of Inorganic Biochemistry, July 1993, Elsevier

    Professor Louis Noodleman

  23. Analysis of isotropic hyperfine parameters for mononuclear, dinuclear and polynuclear FES clusters.

    Article • Journal of Inorganic Biochemistry, July 1993, Elsevier

    Professor Louis Noodleman

  24. Density-Functional Theory of Spin Polarization and Spin Coupling in Iron—Sulfur Clusters

    Article • January 1992, Elsevier

    Professor Louis Noodleman

  25. Local Density Functional Approaches to Spin Coupling in Transition Metal Clusters

    Article • January 1991, Springer Science + Business Media

    Professor Louis Noodleman

  26. A model for the spin states of high-potential iron-sulfur [Fe4S4]3+ proteins

    Article • Inorganic Chemistry, October 1988, American Chemical Society (ACS)

    Professor Louis Noodleman

  27. Ligand spin polarization and antiferromagnetic coupling in transition metal dimers

    Article • Chemical Physics, November 1986, Elsevier

    Professor Louis Noodleman

  28. Valence bond description of antiferromagnetic coupling in transition metal dimers

    Article • The Journal of Chemical Physics, May 1981, American Institute of Physics

    Professor Louis Noodleman