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Manganese(I)‐Catalyzed β‐Methylation of Alcohols Using Methanol as C<sub>1</sub> Source.
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- Angewandte Chemie, 2020, v. 132, n. 1, p. 221, doi. 10.1002/ange.201909035
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- Article
Catalytic Hydrogenation of Cyclic Carbonates using Manganese Complexes.
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- Angewandte Chemie, 2018, v. 130, n. 41, p. 13637, doi. 10.1002/ange.201808676
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- Article
Hydrogenation of CO<sub>2</sub> to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water.
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- Angewandte Chemie, 2016, v. 128, n. 31, p. 9112, doi. 10.1002/ange.201603878
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- Article
Catalytic Hydrogenation of Cyclic Carbonates using Manganese Complexes.
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- Angewandte Chemie International Edition, 2018, v. 57, n. 41, p. 13449, doi. 10.1002/anie.201808676
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- Article
Hydrogenation of CO<sub>2</sub> to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 31, p. 8966, doi. 10.1002/anie.201603878
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- Article
Hydrogenation of CO<sub>2</sub> to Methanol with Mn‐PNP‐Pincer Complexes in the Presence of Lewis Acids: the Formate Resting State Unleashed.
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- ChemCatChem, 2021, v. 13, n. 14, p. 3319, doi. 10.1002/cctc.202100649
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- Article
On the Mechanism of the Ruthenium‐catalyzed β‐methylation of Alcohols with Methanol.
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- ChemCatChem, 2020, v. 12, n. 3, p. 781, doi. 10.1002/cctc.201901871
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- Article
Ruthenium(II)‐Catalyzed β‐Methylation of Alcohols using Methanol as C<sub>1</sub> Source.
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- ChemCatChem, 2019, v. 11, n. 21, p. 5287, doi. 10.1002/cctc.201900788
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- Article
Heterolytische Outer-Sphere-Spaltung von H<sub>2</sub> zur Reduktion von N<sub>2</sub> in der Koordinationssphäre von Übergangsmetallen - eine DFT-Studie.
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- Angewandte Chemie, 2012, v. 124, n. 33, p. 8349, doi. 10.1002/ange.201202025
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- Article
Theoretical studies of ethylene addition to transition metal compounds with carbene and oxo groups L<sub>n</sub>M(&dbond;CH<sub>2</sub>)(&dbond;O).
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- Journal of Physical Organic Chemistry, 2007, v. 20, n. 1, p. 11, doi. 10.1002/poc.1095
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- Article
Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups.
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- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-06831-9
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- Article
(H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>)<sub>4</sub> [W<sub>18</sub>P<sub>2</sub>O<sub>62</sub>] · 3H<sub>2</sub>O, a Microporous Solid from Dawson Anions and 1,6-Diaminohexane.
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- Angewandte Chemie International Edition, 1995, v. 33, n. 23/24, p. 2491, doi. 10.1002/anie.199424911
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- Article
Reduction of Metal Coordinated N<sub>2</sub> to NH<sub>3</sub> with H<sub>2</sub> by Heterolytic Hydrogen Cleavage induced by External Lewis Bases -- a DFT Study.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2015, v. 641, n. 1, p. 72, doi. 10.1002/zaac.201400337
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- Article
Catalytic NH<sub>3</sub> Synthesis using N<sub>2</sub>/H<sub>2</sub> at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry.
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- Chemistry - A European Journal, 2017, v. 23, n. 50, p. 11992, doi. 10.1002/chem.201604612
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Frontispiece: Catalytic NH<sub>3</sub> Synthesis using N<sub>2</sub>/H<sub>2</sub> at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry.
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- Chemistry - A European Journal, 2017, v. 23, n. 50, p. n/a, doi. 10.1002/chem.201604612
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- Article
Understanding Ligand Effects on Bielectronic Transitions: Chemo‐ and Electroreduction of Rhodium Bis(Diphosphine) Complexes to Low Oxidation States.
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- Angewandte Chemie, 2024, v. 136, n. 37, p. 1, doi. 10.1002/ange.202408356
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- Article
Understanding Ligand Effects on Bielectronic Transitions: Chemo‐ and Electroreduction of Rhodium Bis(Diphosphine) Complexes to Low Oxidation States.
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- Angewandte Chemie International Edition, 2024, v. 63, n. 37, p. 1, doi. 10.1002/anie.202408356
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- Article
Manganese(I)‐Catalyzed β‐Methylation of Alcohols Using Methanol as C<sub>1</sub> Source.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 1, p. 215, doi. 10.1002/anie.201909035
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- Article
Can [M(H)<sub>2</sub>(H<sub>2</sub>)(PXP)] Pincer Complexes (M=Fe, Ru, Os; X=N, O, S) Serve as Catalyst Lead Structures for NH<sub>3</sub> Synthesis from N<sub>2</sub> and H<sub>2</sub>?
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- Chemistry - A European Journal, 2007, v. 13, n. 23, p. 6636, doi. 10.1002/chem.200700289
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Postulation of the Mechanism of the Selective Synthesis of Isotactic Poly(methyl methacrylate) Catalysed by [Zr{(Cp)(Ind)CMe<sub>2</sub>}(Me)(thf)](BPh<sub>4</sub>): A Hartree-Fock, MP2 and Density Functional Study.
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- Chemistry - A European Journal, 2001, v. 7, n. 24, p. 5419, doi. 10.1002/1521-3765(20011217)7:24<5419::AID-CHEM5419>3.0.CO;2-0
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Alternating poly(ester amide)s from succinic anhydride and α,ω-amino alcohols: synthesis and thermal characterization.
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- Polymer International, 2003, v. 52, n. 10, p. 1625
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- Article
Solvent-Free Hydrosilylation of Terminal Alkynes by Reaction with a Nonclassical Ruthenium Hydride Pincer Complex.
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- European Journal of Inorganic Chemistry, 2015, v. 2015, n. 2, p. 333, doi. 10.1002/ejic.201403016
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- Article
Low Activation Barriers in N<sub>2</sub> Reduction with H<sub>2</sub> at Ruthenium Pincer Complexes Induced by Ligand Cooperativity: A Computational Study.
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- European Journal of Inorganic Chemistry, 2014, v. 2014, n. 35, p. 6126, doi. 10.1002/ejic.201402706
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Structures and Dynamics of the Mixed Dihydrogen/Hydride Complexes [Ru(PCP)(H)(H<sub>2</sub>) <sub>n</sub>] ( n = 1, 2) and [Ru(PNP)(H)<sub>2</sub>(H<sub>2</sub>)].
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- European Journal of Inorganic Chemistry, 2013, v. 2013, n. 29, p. 5075, doi. 10.1002/ejic.201301016
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- Article
Catalytic Hydrocarboxylation of Olefins with CO<sub>2</sub> and H<sub>2</sub> - a DFT Computational Analysis.
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- European Journal of Inorganic Chemistry, 2012, v. 2012, n. 34, p. 5632, doi. 10.1002/ejic.201200965
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- Article
Reduction of Nitriles to Amines with H<sub>2</sub> Catalyzed by Nonclassical Ruthenium Hydrides - Water-Promoted Selectivity for Primary Amines and Mechanistic Investigations.
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- European Journal of Inorganic Chemistry, 2011, v. 2011, n. 22, p. 3381, doi. 10.1002/ejic.201100392
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- Article
H/D Exchange at Aromatic and Heteroaromatic Hydrocarbons Using D.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 13, p. 2269, doi. 10.1002/anie.200603677
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- Article
Factors Governing the Catalytic Insertion of CO<sub>2</sub> into Arenes – A DFT Case Study for Pd and Pt Phosphane Sulfonamido Complexes.
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- Chemistry - A European Journal, 2022, v. 28, n. 23, p. 1, doi. 10.1002/chem.202104375
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DFT Investigation of the Potential of [H-M{(NHCH2CH2)3X}] Catalysts (M = Mo, Ru, Os; X = N, P) for the Reduction of N2 to NH3 by H2.
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- European Journal of Inorganic Chemistry, 2006, v. 2006, n. 21, p. 4407
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- Article
NH<sub>3</sub> Synthesis in the N<sub>2</sub>/H<sub>2</sub> Reaction System using Cooperative Molecular Tungsten/Rhodium Catalysis in Ionic Hydrogenation: A DFT Study.
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- Chemistry - A European Journal, 2016, v. 22, n. 8, p. 2624, doi. 10.1002/chem.201504660
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- Article
Analysis of Potential Molecular Catalysts for the Hydroamination of Ethylene with Ammonia: A DFT Study with [Ir(PCP)] and [Ir(PSiP)] Complexes.
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- Chemistry - A European Journal, 2013, v. 19, n. 3, p. 1020, doi. 10.1002/chem.201202185
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- Article
Carboxylation of Arene CH Bonds with CO<sub>2</sub>: A DFT-Based Approach to Catalyst Design.
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- Chemistry - A European Journal, 2012, v. 18, n. 1, p. 170, doi. 10.1002/chem.201102785
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- Article
CO<sub>2</sub> Insertion into Metal-Carbon Bonds: A Computational Study of Rh<sup>I</sup> Pincer Complexes.
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- Chemistry - A European Journal, 2011, v. 17, n. 37, p. 10329, doi. 10.1002/chem.201101463
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- Article
Lewis Acid Assisted Stabilization of Side-On Bonded N<sub>2</sub> in [Ru(NCN)]-Pincer Complexes-Computational Catalyst Design Directed at NH<sub>3</sub> Synthesis from N<sub>2</sub> and H<sub>2</sub>.
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- Chemistry - A European Journal, 2010, v. 16, n. 48, p. 14266, doi. 10.1002/chem.201002010
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- Article
A Computational Study of Rhodium Pincer Complexes with Classical and Nonclassical Hydride Centres as Catalysts for the Hydroamination of Ethylene with Ammonia.
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- Chemistry - A European Journal, 2010, v. 16, n. 30, p. 9203, doi. 10.1002/chem.201000669
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- Article
Quinaphos and Dihydro-Quinaphos Phosphine-Phosphoramidite Ligands for Asymmetric Hydrogenation.
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- Chemistry - A European Journal, 2010, v. 16, n. 25, p. 7517, doi. 10.1002/chem.201000063
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- Article
Room Temperature Activation of Aromatic C—H Bonds by Non-Classical Ruthenium Hydride Complexes Containing Carbene Ligands.
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- Advanced Synthesis & Catalysis, 2003, v. 345, n. 9/10, p. 1139, doi. 10.1002/adsc.200303091
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A DFT Study on the Co-polymerization of CO<sub>2</sub> and Ethylene: Feasibility Analysis for the Direct Synthesis of Polyethylene Esters.
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- ChemSusChem, 2016, v. 9, n. 13, p. 1614, doi. 10.1002/cssc.201501615
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- Article
Heterolytic Outer-Sphere Cleavage of H<sub>2</sub> for the Reduction of N<sub>2</sub> in the Coordination Sphere of Transition Metals-A DFT Study.
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- Angewandte Chemie International Edition, 2012, v. 51, n. 33, p. 8225, doi. 10.1002/anie.201202025
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On the applicability of density functional theory to manganese-based complexes with catalytic activity toward water oxidation.
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- Journal of Computational Chemistry, 2017, v. 38, n. 20, p. 1747, doi. 10.1002/jcc.24819
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- Article