| Valence bond description of antiferromagnetic coupling in transition metal dimers L Noodleman The Journal of Chemical Physics 74 (10), 5737-5743, 1981 | 2910 | 1981 |
| Copper (I)-catalyzed synthesis of azoles. DFT study predicts unprecedented reactivity and intermediates F Himo, T Lovell, R Hilgraf, VV Rostovtsev, L Noodleman, KB Sharpless, ... Journal of the American Chemical Society 127 (1), 210-216, 2005 | 2521 | 2005 |
| Ligand spin polarization and antiferromagnetic coupling in transition metal dimers L Noodleman, ER Davidson Chemical physics 109 (1), 131-143, 1986 | 1139 | 1986 |
| Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters L Noodleman, CY Peng, DA Case, JM Mouesca Coordination Chemistry Reviews 144, 199-244, 1995 | 942 | 1995 |
| Density-functional theory of spin polarization and spin coupling in iron—Sulfur clusters L Noodleman, DA Case Advances in Inorganic Chemistry 38, 423-470, 1992 | 776 | 1992 |
| Electronic structure, magnetic properties, ESR, and optical spectra for 2-iron ferredoxin models by LCAO-X. alpha. valence bond theory L Noodleman, EJ Baerends Journal of the American Chemical Society 106 (8), 2316-2327, 1984 | 636 | 1984 |
| The Xα valence bond theory of weak electronic coupling. Application to the low‐lying states of Mo2Cl84− L Noodleman, JG Norman Jr The Journal of Chemical Physics 70 (11), 4903-4906, 1979 | 515 | 1979 |
| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 462 | 2014 |
| Why is tetrazole formation by addition of azide to organic nitriles catalyzed by zinc (II) salts? F Himo, ZP Demko, L Noodleman, KB Sharpless Journal of the American Chemical Society 125 (33), 9983-9987, 2003 | 430 | 2003 |
| Mechanisms of tetrazole formation by addition of azide to nitriles F Himo, ZP Demko, L Noodleman, KB Sharpless Journal of the American Chemical Society 124 (41), 12210-12216, 2002 | 413 | 2002 |
| Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems L Noodleman, T Lovell, WG Han, J Li, F Himo Chemical reviews 104 (2), 459-508, 2004 | 401 | 2004 |
| Models for ferredoxins: electronic structures of iron-sulfur clusters with one, two, and four iron atoms L Noodleman, JG Norman Jr, JH Osborne, A Aizman, DA Case Journal of the American Chemical Society 107 (12), 3418-3426, 1985 | 373 | 1985 |
| Density functional/Poisson-Boltzmann calculations of redox potentials for iron-sulfur clusters JM Mouesca, JL Chen, L Noodleman, D Bashford, DA Case Journal of the American Chemical Society 116 (26), 11898-11914, 1994 | 360 | 1994 |
| Calculation of Redox Potentials and pKa Values of Hydrated Transition Metal Cations by a Combined Density Functional and Continuum Dielectric Theory J Li, CL Fisher, JL Chen, D Bashford, L Noodleman Inorganic Chemistry 35 (16), 4694-4702, 1996 | 307 | 1996 |
| Broken symmetry analysis of spin coupling in iron-sulfur clusters L Noodleman, DA Case, A Aizman Journal of the American Chemical Society 110 (4), 1001-1005, 1988 | 278 | 1988 |
| Density Functional and Reduction Potential Calculations of Fe4S4 Clusters RA Torres, T Lovell, L Noodleman, DA Case Journal of the American Chemical Society 125 (7), 1923-1936, 2003 | 254 | 2003 |
| Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: Application to a … S Sinnecker, F Neese, L Noodleman, W Lubitz Journal of the American Chemical Society 126 (8), 2613-2622, 2004 | 233 | 2004 |
| ADF2017, SCM, Theoretical Chemistry EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... Vrije Universiteit, 2017 | 213 | 2017 |
| FeMo Cofactor of Nitrogenase: A Density Functional Study of States MN, MOX, MR, and MI T Lovell, J Li, T Liu, DA Case, L Noodleman Journal of the American Chemical Society 123 (49), 12392-12410, 2001 | 209 | 2001 |
| Incorporating solvation effects into density functional electronic structure calculations JL Chen, L Noodleman, DA Case, D Bashford The Journal of Physical Chemistry 98 (43), 11059-11068, 1994 | 203 | 1994 |
David A CaseRutgers UniversityVerified email at biomaps.rutgers.edu
