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Inorganic Chemistry|September 19, 2022
Hydrogen Atom Abstraction from an OsII(NH3)2 Complex Generates an OsIV(NH2)2 Complex: Experimental and Computational Analysis of the N-H Bond Dissociation Free Energies and ReactivityPeter L Dunn, Melissa Barona, Samantha I Johnson, et al.Journal of the American Chemical Society|August 24, 2022
Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe-N-C MaterialsPhillips Hutchison, Peter S Rice, Robert E Warburton, et al.The Journal of Physical Chemistry. A|July 15, 2025
Effect of Charge and Analyte Structure on Amino Acid-Water DropletsWilma Rishko, Rahul Somni, Dominic Davis, et al.Plos Computational Biology|September 12, 2014
Molecular simulation-based structural prediction of protein complexes in mass spectrometry: the human insulin dimerJinyu Li, Giulia Rossetti, Jens Dreyer, et al.Chemical Reviews|May 31, 2022
Molecular Catalysts with Diphosphine Ligands Containing Pendant AminesEric S Wiedner, Aaron M Appel, Simone Raugei, et al.Inorganic Chemistry|November 17, 2020
Intramolecular Electrostatic Effects on O2, CO2, and Acetate Binding to a Cationic Iron PorphyrinDaniel J Martin, Samantha I Johnson, Brandon Q Mercado, et al.The Journal of Physical Chemistry Letters|October 20, 2022
Modeling Absolute Redox Potentials of Ferrocene in the Condensed PhaseMałgorzata Zofia Makoś, Pradeep Kumar Gurunathan, Simone Raugei, et al.Journal of the American Chemical Society|July 17, 2019
High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)Veronika Hoeke, Laura Tociu, David A Case, et al.Inorganic Chemistry|February 9, 2017
Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride (Janus) State Involves a FeMo-cofactor-H2 IntermediateDmitriy Lukoyanov, Nimesh Khadka, Dennis R Dean, et al.Inorganic Chemistry|August 9, 2016
CO2 Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and MethaneNimesh Khadka, Dennis R Dean, Dayle Smith, et al.Pageof 45