Evaluation of the Factors Impacting the Accuracy of 13C NMR Chemical Shift Predictions using Density Functional TheoryThe Advantage of Long-Range Corrected Functionals von Iron, Mark A

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Mechanism of the Copper/TEMPO‐Catalyzed Aerobic Oxidation of Alcohols von Iron, Mark A., Szpilman, Alex M.

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Authorizing Multiple Chemical Passwords by a Combinatorial Molecular Keypad Lock von Rout, Bhimsen, Milko, Petr, Iron, Mark A, Motiei, Leila, Margulies, David

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Enolonium Species—Umpoled Enolates von Arava, Shlomy, Kumar, Jayprakash N., Maksymenko, Shimon, Iron, Mark A., Parida, Keshaba N., Fristrup, Peter, Szpilman, Alex M.

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N−H Activation of Amines and Ammonia by Ru via Metal−Ligand Cooperation von Khaskin, Eugene, Iron, Mark A, Shimon, Linda J. W, Zhang, Jing, Milstein, David

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Iron Borohydride Pincer Complexes for the Efficient Hydrogenation of Ketones under Mild, Base-Free Conditions: Synthesis and Mechanistic Insight von Langer, Robert, Iron, Mark A., Konstantinovski, Leonid, Diskin-Posner, Yael, Leitus, Gregory, Ben-David, Yehoshoa, Milstein, David

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Medication Detection by a Combinatorial Fluorescent Molecular Sensor von Rout, Bhimsen, Unger, Linor, Armony, Gad, Iron, Mark A., Margulies, David

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Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design von Vogt, Matthias, Nerush, Alexander, Iron, Mark A, Leitus, Gregory, Diskin-Posner, Yael, Shimon, Linda J. W, Ben-David, Yehoshoa, Milstein, David

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Evaluating Transition Metal Barrier Heights with the Latest Density Functional Theory Exchange–Correlation Functionals: The MOBH35 Benchmark Database von Iron, Mark A, Janes, Trevor

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A Dearomatized Anionic PNP Pincer Rhodium Complex: C–H and H–H Bond Activation by Metal–Ligand Cooperation and Inhibition by Dinitrogen von Schwartsburd, Leonid, Iron, Mark A, Konstantinovski, Leonid, Ben-Ari, Eyal, Milstein, David

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Metal-ligand cooperation in the trans addition of dihydrogen to a pincer Ir(I) complex: a DFT study von Iron, Mark A, Ben-Ari, Eyal, Cohen, Revital, Milstein, David

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On the Unexpected Stability of the Dianion of Perylene Diimide in WaterA Computational Study von Iron, Mark A, Cohen, Revital, Rybtchinski, Boris

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Manganese Catalyzed Hydrogenation of Carbamates and Urea Derivatives von Das, Uttam Kumar, Kumar, Amit, Ben-David, Yehoshoa, Iron, Mark A, Milstein, David

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Synthesis and Reactivity of an Iridium(I) Acetonyl PNP Complex. Experimental and Computational Study of Metal−Ligand Cooperation in H−H and C−H Bond Activation via Reversible Ligan... von Schwartsburd, Leonid, Iron, Mark A, Konstantinovski, Leonid, Diskin-Posner, Yael, Leitus, Gregory, Shimon, Linda J. W, Milstein, David

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Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions von Quintal, Miriam M, Karton, Amir, Iron, Mark A, Boese, A. Daniel, Martin, Jan M. L

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Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands von Zell, Thomas, Langer, Robert, Iron, Mark A, Konstantinovski, Leonid, Shimon, Linda J. W, Diskin-Posner, Yael, Leitus, Gregory, Balaraman, Ekambaram, Ben-David, Yehoshoa, Milstein, David

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A novel liquid organic hydrogen carrier system based on catalytic peptide formation and hydrogenation von Hu, Peng, Fogler, Eran, Diskin-Posner, Yael, Iron, Mark A., Milstein, David

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Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity von Fogler, Eran, Iron, Mark A, Zhang, Jing, Ben-David, Yehoshoa, Diskin−Posner, Yael, Leitus, Gregory, Shimon, Linda J. W, Milstein, David

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Cost-effective density functional theory (DFT) calculations of equilibrium isotopic fractionation in large organic molecules von Iron, Mark A, Gropp, Jonathan

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Stepwise Assembly of Coordination-Based Metal−Organic Networks von Kaminker, Revital, Motiei, Leila, Gulino, Antonino, Fragalà, Ignazio, Shimon, Linda J. W, Evmenenko, Guennadi, Dutta, Pulak, Iron, Mark A, van der Boom, Milko E

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