Mark Iron
Mark Iron
Computational Chemistry Unit, Department of Chemical Research Support, Weizmann Institute of Science
Verified email at - Homepage
Cited by
Cited by
Consecutive thermal H2 and light-induced O2 evolution from water promoted by a metal complex
SW Kohl, L Weiner, L Schwartsburd, L Konstantinovski, LJW Shimon, ...
Science 324 (5923), 74-77, 2009
Benchmark study of DFT functionals for late-transition-metal reactions
MM Quintal, A Karton, MA Iron, AD Boese, JML Martin
The Journal of Physical Chemistry A 110 (2), 709-716, 2006
N− H activation of amines and ammonia by Ru via metal− ligand cooperation
E Khaskin, MA Iron, LJW Shimon, J Zhang, D Milstein
Journal of the American Chemical Society 132 (25), 8542-8543, 2010
Iron Borohydride Pincer Complexes for the Efficient Hydrogenation of Ketones under Mild, Base‐Free Conditions: Synthesis and Mechanistic Insight
R Langer, MA Iron, L Konstantinovski, Y Diskin‐Posner, G Leitus, ...
Chemistry–A European Journal 18 (23), 7196-7209, 2012
A computational foray into the formation and reactivity of metallabenzenes
MA Iron, ACB Lucassen, H Cohen, ME van der Boom, JML Martin
Journal of the American Chemical Society 126 (37), 11699-11710, 2004
“Long-Range” Metal−Ligand Cooperation in H2 Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium−Acridine Pincer Complex
C Gunanathan, B Gnanaprakasam, MA Iron, LJW Shimon, D Milstein
Journal of the American Chemical Society 132 (42), 14763-14765, 2010
A new mode of activation of CO2 by metal-ligand cooperation with reversible CC and MO bond formation at ambient temperature
M Vogt, M Gargir, MA Iron, Y Diskin-Posner, Y Ben-David, D Milstein
Chem.-Eur. J 18 (30), 9194-9197, 2012
A novel liquid organic hydrogen carrier system based on catalytic peptide formation and hydrogenation
P Hu, E Fogler, Y Diskin-Posner, MA Iron, D Milstein
Nature communications 6 (1), 6859, 2015
Evaluating transition metal barrier heights with the latest density functional theory exchange–correlation functionals: The MOBH35 benchmark database
MA Iron, T Janes
The Journal of Physical Chemistry A 123 (17), 3761-3781, 2019
Stable aromatic dianion in water
E Shirman, A Ustinov, N Ben-Shitrit, H Weissman, MA Iron, R Cohen, ...
The Journal of Physical Chemistry B 112 (30), 8855-8858, 2008
Alkali and alkaline earth metal compounds: Core—valence basis sets and importance of subvalence correlation
MA Iron, M Oren, JML Martin
Molecular Physics 101 (9), 1345-1361, 2003
Activation of nitriles by metal ligand cooperation. reversible formation of ketimido-and enamido-rhenium PNP pincer complexes and relevance to catalytic design
M Vogt, A Nerush, MA Iron, G Leitus, Y Diskin-Posner, LJW Shimon, ...
Journal of the American Chemical Society 135 (45), 17004-17018, 2013
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 …
L Schwartsburd, MA Iron, L Konstantinovski, Y Diskin-Posner, G Leitus, ...
Organometallics 29 (17), 3817-3827, 2010
Nitrenium ions as ligands for transition metals
Y Tulchinsky, MA Iron, M Botoshansky, M Gandelman
Nature Chemistry 3 (7), 525-531, 2011
Density functional theory in transition-metal chemistry: relative energies of low-lying states of iron compounds and the effect of spatial symmetry breaking
A Sorkin, MA Iron, DG Truhlar
Journal of Chemical Theory and Computation 4 (2), 307-315, 2008
Manganese catalyzed hydrogenation of carbamates and urea derivatives
UK Das, A Kumar, Y Ben-David, MA Iron, D Milstein
Journal of the American Chemical Society 141 (33), 12962-12966, 2019
Authorizing multiple chemical passwords by a combinatorial molecular keypad lock
B Rout, P Milko, MA Iron, L Motiei, D Margulies
Journal of the American Chemical Society 135 (41), 15330-15333, 2013
Evaluation of the Factors Impacting the Accuracy of 13C NMR Chemical Shift Predictions using Density Functional TheoryThe Advantage of Long-Range …
MA Iron
Journal of Chemical Theory and Computation 13 (11), 5798-5819, 2017
Enolonium species—umpoled enolates
S Arava, JN Kumar, S Maksymenko, MA Iron, KN Parida, P Fristrup, ...
Angewandte Chemie 129 (10), 2643-2647, 2017
Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2
M Vogt, O Rivada-Wheelaghan, MA Iron, G Leitus, Y Diskin-Posner, ...
Organometallics 32 (1), 300-308, 2013
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