L
Louis Noodleman
Researcher at Scripps Research Institute
Publications - 138
Citations - 13551
Louis Noodleman is an academic researcher from Scripps Research Institute. The author has contributed to research in topics: Density functional theory & Hyperfine structure. The author has an hindex of 52, co-authored 137 publications receiving 12745 citations. Previous affiliations of Louis Noodleman include Scripps Health & University of North Carolina at Chapel Hill.
Papers
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Journal ArticleDOI
Valence bond description of antiferromagnetic coupling in transition metal dimers
TL;DR: In this paper, a single configuration model containing nonorthogonal magnetic orbitals is developed to represent the important features of the antiferromagnetic state of a transition metal dimer.
Journal ArticleDOI
Copper(I)-catalyzed synthesis of azoles. DFT study predicts unprecedented reactivity and intermediates.
Fahmi Himo,Timothy Lovell,Robert Hilgraf,Vsevolod V. Rostovtsev,Louis Noodleman,K. Barry Sharpless,Valery V. Fokin +6 more
TL;DR: Huisgen's 1,3-dipolar cycloadditions become nonconcerted when copper(I) acetylides react with azides and nitrile oxides, providing ready access to 1,4-disubstituted 1,2, 3-triazoles and 3, 4-disubsided isoxazoles, respectively.
Journal ArticleDOI
Ligand spin polarization and antiferromagnetic coupling in transition metal dimers
TL;DR: In this paper, it was shown that spin polarized determinants for an antiferromagnetic transition metal dimer and spin projected states obtained from them contribute to the Heisenberg coupling constant J describing a ladder of spin states.
Journal ArticleDOI
Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters
TL;DR: In this article, the interconnections among orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters are reviewed, with special attention to the complex nature of spin and orbital states in 4Fe4S complexes.
Book ChapterDOI
Density-Functional Theory of Spin Polarization and Spin Coupling in Iron—Sulfur Clusters
Louis Noodleman,David A. Case +1 more
TL;DR: In this article, a combination of broken symmetry and spin-unrestricted methods was developed to study spin-polarized and spincoupled systems, and the basic ideas were developed of this approach, using a perturbation theory formalism to rationalize the spin Hamiltonian and energy-splitting formulas that should be appropriate for spin-couple transition metal clusters.