Works matching IS 09476539 AND DT 2018 AND VI 24 AND IP 20

Results: 59

Frontispiece: Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6]2− and [IrF6]2−.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882068

By:

Haase, Pi A. B.;
Repisky, Michal;
Komorovsky, Stanislav;
Bendix, Jesper;
Sauer, Stephan P. A.

Publication type:

Article

Frontispiece: A Valence‐Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882067

By:

Krewald, Vera;
González, Leticia

Publication type:

Article

Valence Localization at a Bio‐inspired Mixed‐Valent {Cu2S}2+ Motif upon Solvation in Acetonitrile: Effect on Nitrous Oxide Reductase (N2Or) Activity.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5060, doi. 10.1002/chem.201704737

By:

Esmieu, Charlène;
Orio, Maylis;
Mangue, Jordan;
Pécaut, Jacques;
Ménage, Stéphane;
Torelli, Stéphane

Publication type:

Article

Frontispiece: Theory Uncovers the Role of the Methionine–Tyrosine–Tryptophan Radical Adduct in the Catalase Reaction of KatGs: O2 Release Mediated by Proton‐Coupled Electron Transfer.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201706076

By:

Wang, Binju;
Fita, Ignacio;
Rovira, Carme

Publication type:

Article

Frontispiece: Synthesis and Optical Properties of Phenanthroline‐Derived Schiff Base‐Like Dinuclear RuII–NiII Complexes.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201704632

By:

Kurz, Hannah;
Lochenie, Charles;
Wagner, Kristina G.;
Schneider, Sandra;
Karg, Matthias;
Weber, Birgit

Publication type:

Article

ECOSTBio: Explicit Control Over Spin States in Technology and Biochemistry.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5003, doi. 10.1002/chem.201801041

By:

Ray, Kallol;
Duboc, Carole

Publication type:

Article

Cover Feature: Drastic Effect of the Peptide Sequence on the Copper‐Binding Properties of Tripeptides and the Electrochemical Behaviour of Their Copper(II) Complexes (Chem. Eur. J. 20/2018).

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5002, doi. 10.1002/chem.201800963

By:

Mena, Silvia;
Mirats, Andrea;
Caballero, Ana B.;
Guirado, Gonzalo;
Barrios, Leoní A.;
Teat, Simon J.;
Rodriguez‐Santiago, Luis;
Sodupe, Mariona;
Gamez, Patrick

Publication type:

Article

On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5373, doi. 10.1002/chem.201704977

By:

Klein, Johannes E. M. N.;
Draksharapu, Apparao;
Shokri, Alireza;
Cramer, Christopher J.;
Que, Jr., Lawrence

Publication type:

Article

Frontispiece: An Incomplete Spin Transition Associated with a <italic>Z</italic>′=1→<italic>Z</italic>′=24 Crystallographic Symmetry Breaking.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882065

By:

Capel Berdiell, Izar;
Kulmaczewski, Rafal;
Cespedes, Oscar;
Halcrow, Malcolm A.

Publication type:

Article

Front Cover: ECOSTBio: Explicit Control Over Spin States in Technology and Biochemistry (Chem. Eur. J. 20/2018).

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 4999, doi. 10.1002/chem.201801119

By:

Ray, Kallol;
Duboc, Carole

Publication type:

Article

Frontispiece: Controlling Selectivity in Aliphatic C−H Oxidation through Supramolecular Recognition.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882064

By:

Vidal, Diego;
Olivo, Giorgio;
Costas, Miquel

Publication type:

Article

Frontispiece: Potential Therapeutic Applications of MnSODs and SOD‐Mimetics.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882063

By:

Bonetta, Rosalin

Publication type:

Article

Frontispiece: Solar‐Driven Production of Hydrogen Peroxide from Water and Dioxygen.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882062

By:

Fukuzumi, Shunichi;
Lee, Yong‐Min;
Nam, Wonwoo

Publication type:

Article

Frontispiece: Spin‐Forbidden Reactions: Adiabatic Transition States Using Spin–Orbit Coupled Density Functional Theory.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882061

By:

Gaggioli, Carlo Alberto;
Belpassi, Leonardo;
Tarantelli, Francesco;
Harvey, Jeremy N.;
Belanzoni, Paola

Publication type:

Article

Copper‐Catalyzed Aziridination with Redox‐Active Ligands: Molecular Spin Catalysis.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5086, doi. 10.1002/chem.201705649

By:

Ren, Yufeng;
Cheaib, Khaled;
Jacquet, Jérémy;
Vezin, Hervé;
Fensterbank, Louis;
Orio, Maylis;
Blanchard, Sébastien;
Desage‐El Murr, Marine

Publication type:

Article

Cover Feature: Effect of Second‐Order Spin–Orbit Coupling on the Interaction between Spin States in Spin‐Crossover Systems (Chem. Eur. J. 20/2018).

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5001, doi. 10.1002/chem.201800964

By:

Sousa, Carmen;
Domingo, Alex;
de Graaf, Coen

Publication type:

Article

Cover Feature: Directing a Non‐Heme Iron(III)‐Hydroperoxide Species on a Trifurcated Reactivity Pathway (Chem. Eur. J. 20/2018).

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5000, doi. 10.1002/chem.201800709

By:

Wegeberg, Christina;
Lauritsen, Frants R.;
Frandsen, Cathrine;
Mørup, Steen;
Browne, Wesley R.;
McKenzie, Christine J.

Publication type:

Article

Rotating Iron and Titanium Sandwich Complexes.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5070, doi. 10.1002/chem.201704829

By:

Vlahovic, Filip;
Gruden, Maja;
Swart, Marcel

Publication type:

Article

Theory Uncovers the Role of the Methionine–Tyrosine–Tryptophan Radical Adduct in the Catalase Reaction of KatGs: O2 Release Mediated by Proton‐Coupled Electron Transfer.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5388, doi. 10.1002/chem.201706076

By:

Wang, Binju;
Fita, Ignacio;
Rovira, Carme

Publication type:

Article

A Metallo Pro‐Drug to Target CuII in the Context of Alzheimer's Disease.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5095, doi. 10.1002/chem.201706049

By:

Conte‐Daban, Amandine;
Ambike, Vinita;
Guillot, Régis;
Delsuc, Nicolas;
Policar, Clotilde;
Hureau, Christelle

Publication type:

Article

Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5091, doi. 10.1002/chem.201705989

By:

Wang, Lianke;
Zlatar, Matija;
Vlahović, Filip;
Demeshko, Serhiy;
Philouze, Christian;
Molton, Florian;
Gennari, Marcello;
Meyer, Franc;
Duboc, Carole;
Gruden, Maja

Publication type:

Article

Mechanism of Ultrafast Intersystem Crossing in 2‐Nitronaphthalene.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5379, doi. 10.1002/chem.201705854

By:

Zobel, J. Patrick;
Nogueira, Juan J.;
González, Leticia

Publication type:

Article

Acid‐Triggered O−O Bond Heterolysis of a Nonheme FeIII(OOH) Species for the Stereospecific Hydroxylation of Strong C−H Bonds.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5331, doi. 10.1002/chem.201704851

By:

Serrano‐Plana, Joan;
Acuña‐Parés, Ferran;
Dantignana, Valeria;
Oloo, Williamson N.;
Castillo, Esther;
Draksharapu, Apparao;
Whiteoak, Christopher J.;
Martin‐Diaconescu, Vlad;
Basallote, Manuel G.;
Luis, Josep M.;
Que, Jr., Lawrence;
Costas, Miquel;
Company, Anna

Publication type:

Article

Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5082, doi. 10.1002/chem.201705439

By:

Bernhardt, Paul V.;
Bilyj, Jessica K.;
Brosius, Victor;
Chernyshov, Dmitry;
Deeth, Robert J.;
Foscato, Marco;
Jensen, Vidar R.;
Mertes, Nicole;
Riley, Mark J.;
Törnroos, Karl W.

Publication type:

Article

Detection of Indistinct Fe−N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5078, doi. 10.1002/chem.201705307

By:

Andris, Erik;
Navrátil, Rafael;
Jašík, Juraj;
Sabenya, Gerard;
Costas, Miquel;
Srnec, Martin;
Roithová, Jana

Publication type:

Article

Structural Origin of Metal Specificity in Isatin Hydrolase from <italic>Labrenzia aggregata</italic> Investigated by Computer Simulations.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5074, doi. 10.1002/chem.201705159

By:

Uribe, Lalita;
Diezemann, Gregor;
Gauss, Jürgen;
Morth, Jens Preben;
Cascella, Michele

Publication type:

Article

Electronic and Structural Dynamics During the Switching of the Photomagnetic Complex [Fe(L222N5)(CN)2].

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5064, doi. 10.1002/chem.201704746

By:

Zerdane, Serhane;
Collet, Eric;
Dong, Xu;
Matar, Samir F.;
Wang, Hong Feng;
Desplanches, Cedric;
Chastanet, Guillaume;
Chollet, Matthieu;
Glownia, James M.;
Lemke, Henrick T.;
Lorenc, Maciej;
Cammarata, Marco

Publication type:

Article

Mechanistic Studies on NaHCO3 Hydrogenation and HCOOH Dehydrogenation Reactions Catalysed by a FeII Linear Tetraphosphine Complex.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5366, doi. 10.1002/chem.201704927

By:

Marcos, Rocío;
Bertini, Federica;
Rinkevicius, Zilvinas;
Peruzzini, Maurizio;
Gonsalvi, Luca;
Ahlquist, Mårten S. G.

Publication type:

Article

Revisiting the Ullman's Radical Chemistry for Phthalocyanine Derivatives.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5359, doi. 10.1002/chem.201704903

By:

Fidan, Ismail;
Luneau, Dominique;
Ahsen, Vefa;
Hirel, Catherine

Publication type:

Article

An Incomplete Spin Transition Associated with a <italic>Z</italic>′=1→<italic>Z</italic>′=24 Crystallographic Symmetry Breaking.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5055, doi. 10.1002/chem.201704896

By:

Capel Berdiell, Izar;
Kulmaczewski, Rafal;
Cespedes, Oscar;
Halcrow, Malcolm A.

Publication type:

Article

First Principles Calculation of the Reaction Rates for Ligand Binding to Myoglobin: The Cases of NO and CO.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5350, doi. 10.1002/chem.201704867

By:

Lábas, Anikó;
Menyhárd, Dóra K.;
Harvey, Jeremy N.;
Oláh, Julianna

Publication type:

Article

Comparing Isomeric Tridentate Carbazole‐Based Click Ligands: Metal Complexes and Redox Chemistry.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5341, doi. 10.1002/chem.201704858

By:

Pryjomska‐Ray, Iweta;
Zornik, Denise;
Pätzel, Michael;
Krause, Konstantin B.;
Grubert, Lutz;
Braun‐Cula, Beatrice;
Hecht, Stefan;
Limberg, Christian

Publication type:

Article

Effect of Second‐Order Spin–Orbit Coupling on the Interaction between Spin States in Spin‐Crossover Systems.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5146, doi. 10.1002/chem.201704854

By:

Sousa, Carmen;
Domingo, Alex;
de Graaf, Coen

Publication type:

Article

Controlling Selectivity in Aliphatic C−H Oxidation through Supramolecular Recognition.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5042, doi. 10.1002/chem.201704852

By:

Vidal, Diego;
Olivo, Giorgio;
Costas, Miquel

Publication type:

Article

Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6]2− and [IrF6]2−.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5124, doi. 10.1002/chem.201704653

By:

Haase, Pi A. B.;
Repisky, Michal;
Komorovsky, Stanislav;
Bendix, Jesper;
Sauer, Stephan P. A.

Publication type:

Article

On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5225, doi. 10.1002/chem.201704617

By:

Miłaczewska, Anna;
Kot, Ewa;
Amaya, José A.;
Makris, Thomas M.;
Zając, Marcin;
Korecki, Józef;
Chumakov, Aleksandr;
Trzewik, Bartosz;
Kędracka‐Krok, Sylwia;
Minor, Władek;
Chruszcz, Maksymilian;
Borowski, Tomasz

Publication type:

Article

Correlation of Structural and Magnetic Properties in a Set of Mononuclear Lanthanide Complexes.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5319, doi. 10.1002/chem.201704822

By:

Comba, Peter;
Daumann, Lena J.;
Klingeler, Rüdiger;
Koo, Changhyun;
Riley, Mark J.;
Roberts, Asha E.;
Wadepohl, Hubert;
Werner, Johannes

Publication type:

Article

Directing a Non‐Heme Iron(III)‐Hydroperoxide Species on a Trifurcated Reactivity Pathway.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5134, doi. 10.1002/chem.201704615

By:

Wegeberg, Christina;
Lauritsen, Frants R.;
Frandsen, Cathrine;
Mørup, Steen;
Browne, Wesley R.;
McKenzie, Christine J.

Publication type:

Article

Redox‐Dependent Metal−Metal Bonding in Trinuclear Metal Chains: Probing the Transition from Covalent Bonding to Exchange Coupling.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5309, doi. 10.1002/chem.201704727

By:

Obies, Mohammed;
Perkins, Nicholas R.;
Arcisauskaite, Vaida;
Heath, Graham A.;
Edwards, Alison J.;
McGrady, John E.

Publication type:

Article

Towards High‐Throughput Modelling of Copper Reactivity Induced by Structural Disorder in Amyloid Peptides.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5259, doi. 10.1002/chem.201704654

By:

La Penna, Giovanni;
Li, Mai Suan

Publication type:

Article

Nitrogen Reduction to Ammonia on a Biomimetic Mononuclear Iron Centre: Insights into the Nitrogenase Enzyme.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5293, doi. 10.1002/chem.201704688

By:

Kaczmarek, Monika A.;
Malhotra, Abheek;
Balan, G. Alex;
Timmins, Amy;
de Visser, Sam P.

Publication type:

Article

Conceptual Insights into DFT Spin‐State Energetics of Octahedral Transition‐Metal Complexes through a Density Difference Analysis.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5281, doi. 10.1002/chem.201704657

By:

Pinter, Balazs;
Chankisjijev, Artiom;
Geerlings, Paul;
Harvey, Jeremy N.;
De Proft, Frank

Publication type:

Article

Halogenated Alkyltetrazoles for the Rational Design of FeII Spin‐Crossover Materials: Fine‐Tuning of the Ligand Size.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5271, doi. 10.1002/chem.201704656

By:

Müller, Danny;
Knoll, Christian;
Seifried, Marco;
Welch, Jan M.;
Giester, Gerald;
Reissner, Michael;
Weinberger, Peter

Publication type:

Article

A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5303, doi. 10.1002/chem.201704655

By:

Hunter, Thérèse;
Bonetta, Rosalin;
Sacco, Anthony;
Vella, Marita;
Sultana, Paul‐Michael;
Trinh, Chi H.;
Fadia, Hava B. R.;
Borowski, Tomasz;
Garcia‐Fandiño, Rebeca;
Stockner, Thomas;
Hunter, Gary J.

Publication type:

Article

A Valence‐Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5112, doi. 10.1002/chem.201704651

By:

Krewald, Vera;
González, Leticia

Publication type:

Article

Why the Flavin Adenine Dinucleotide (FAD) Cofactor Needs To Be Covalently Linked to Complex II of the Electron‐Transport Chain for the Conversion of FADH2 into FAD.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5246, doi. 10.1002/chem.201704622

By:

Dourado, Daniel F. A. R.;
Swart, Marcel;
Carvalho, Alexandra T. P.

Publication type:

Article

Modulation of Nickel Pyridinedicarboxamidate Complexes to Explore the Properties of High‐valent Oxidants.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5238, doi. 10.1002/chem.201704618

By:

Pirovano, Paolo;
Twamley, Brendan;
McDonald, Aidan R.

Publication type:

Article

Synthesis and Optical Properties of Phenanthroline‐Derived Schiff Base‐Like Dinuclear RuII–NiII Complexes.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5100, doi. 10.1002/chem.201704632

By:

Kurz, Hannah;
Lochenie, Charles;
Wagner, Kristina G.;
Schneider, Sandra;
Karg, Matthias;
Weber, Birgit

Publication type:

Article

Catalytic Synthesis of Indolines by Hydrogen Atom Transfer to Cobalt(III)–Carbene Radicals.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5253, doi. 10.1002/chem.201704626

By:

Karns, Alexander S.;
Goswami, Monalisa;
de Bruin, Bas

Publication type:

Article

Drastic Effect of the Peptide Sequence on the Copper‐Binding Properties of Tripeptides and the Electrochemical Behaviour of Their Copper(II) Complexes.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5153, doi. 10.1002/chem.201704623

By:

Mena, Silvia;
Mirats, Andrea;
Caballero, Ana B.;
Guirado, Gonzalo;
Barrios, Leoní A.;
Teat, Simon J.;
Rodriguez‐Santiago, Luis;
Sodupe, Mariona;
Gamez, Patrick

Publication type:

Article