Works matching AU Bursch, Markus

Results: 21

Hydrogen atom transfer rates from Tp-containing metal-hydrides to trityl radicals.

Published in:

Canadian Journal of Chemistry, 2021, v. 99, n. 2, p. 216, doi. 10.1139/cjc-2020-0392

By:

Vibbert, Hunter B.;
Neugebauer, Hagen;
Norton, Jack R.;
Hansen, Andreas;
Bursch, Markus;
Grimme, Stefan

Publication type:

Article

Modular Bicyclophane‐Based Molecular Platforms.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 70, p. 1, doi. 10.1002/chem.202302662

By:

Kalle, Daniel;
Bahr, Joshua;
Keller, Tristan Johannes;
Kleine Büning, Julius B.;
Grimme, Stefan;
Bursch, Markus;
Jester, Stefan‐Sven;
Höger, Sigurd

Publication type:

Article

Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 57, p. 14179, doi. 10.1002/chem.202100041

By:

Köring, Laura;
Sitte, Nikolai A.;
Bursch, Markus;
Grimme, Stefan;
Paradies, Jan

Publication type:

Article

Quantification of Noncovalent Interactions in Azide–Pnictogen, –Chalcogen, and –Halogen Contacts.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 14, p. 4627, doi. 10.1002/chem.202004525

By:

Bursch, Markus;
Kunze, Lukas;
Vibhute, Amol M.;
Hansen, Andreas;
Sureshan, Kana M.;
Jones, Peter G.;
Grimme, Stefan;
Werz, Daniel B.

Publication type:

Article

Confined Lewis Pairs: Investigation of the X−→Si20 Interaction in Halogen‐Encapsulating Silafulleranes.

Published in:

Angewandte Chemie, 2024, v. 136, n. 6, p. 1, doi. 10.1002/ange.202314238

By:

Gasevic, Thomas;
Bamberg, Marcel;
Wicke, Julius;
Bolte, Michael;
Virovets, Alexander;
Lerner, Hans‐Wolfram;
Grimme, Stefan;
Hansen, Andreas;
Wagner, Matthias;
Bursch, Markus

Publication type:

Article

London Dispersion Effects in a Distannene/Tristannane Equilibrium: Energies of their Interconversion and the Suppression of the Monomeric Stannylene Intermediate.

Published in:

Angewandte Chemie, 2023, v. 135, n. 22, p. 1, doi. 10.1002/ange.202301919

By:

Zou, Wenxing;
Bursch, Markus;
Mears, Kristian L.;
Stennett, Cary R.;
Yu, Ping;
Fettinger, James C.;
Grimme, Stefan;
Power, Philip P.

Publication type:

Article

Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**.

Published in:

Angewandte Chemie, 2022, v. 134, n. 42, p. 1, doi. 10.1002/ange.202205735

By:

Bursch, Markus;
Mewes, Jan‐Michael;
Hansen, Andreas;
Grimme, Stefan

Publication type:

Article

Building up Strain in One Step: Synthesis of an Edge‐Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion.

Published in:

Angewandte Chemie, 2020, v. 132, n. 37, p. 16315, doi. 10.1002/ange.202006463

By:

Georg, Isabelle;
Bursch, Markus;
Stückrath, Julius B.;
Alig, Edith;
Bolte, Michael;
Lerner, Hans‐Wolfram;
Grimme, Stefan;
Wagner, Matthias

Publication type:

Article

Structure Optimisation of Large Transition‐Metal Complexes with Extended Tight‐Binding Methods.

Published in:

Angewandte Chemie, 2019, v. 131, n. 32, p. 11195, doi. 10.1002/ange.201904021

By:

Bursch, Markus;
Neugebauer, Hagen;
Grimme, Stefan

Publication type:

Article

Reduktion von Phosphanoxiden mit Oxalylchlorid und Wasserstoff, vermittelt durch ein elektrophiles Phosphoniumkation.

Published in:

Angewandte Chemie, 2018, v. 130, n. 46, p. 15473, doi. 10.1002/ange.201809275

By:

Stepen, Arne J.;
Bursch, Markus;
Grimme, Stefan;
Stephan, Douglas W.;
Paradies, Jan

Publication type:

Article

Confined Lewis Pairs: Investigation of the X−→Si20 Interaction in Halogen‐Encapsulating Silafulleranes.

Published in:

Angewandte Chemie International Edition, 2024, v. 63, n. 6, p. 1, doi. 10.1002/anie.202314238

By:

Gasevic, Thomas;
Bamberg, Marcel;
Wicke, Julius;
Bolte, Michael;
Virovets, Alexander;
Lerner, Hans‐Wolfram;
Grimme, Stefan;
Hansen, Andreas;
Wagner, Matthias;
Bursch, Markus

Publication type:

Article

London Dispersion Effects in a Distannene/Tristannane Equilibrium: Energies of their Interconversion and the Suppression of the Monomeric Stannylene Intermediate.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 22, p. 1, doi. 10.1002/anie.202301919

By:

Zou, Wenxing;
Bursch, Markus;
Mears, Kristian L.;
Stennett, Cary R.;
Yu, Ping;
Fettinger, James C.;
Grimme, Stefan;
Power, Philip P.

Publication type:

Article

Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 42, p. 1, doi. 10.1002/anie.202205735

By:

Bursch, Markus;
Mewes, Jan‐Michael;
Hansen, Andreas;
Grimme, Stefan

Publication type:

Article

Building up Strain in One Step: Synthesis of an Edge‐Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 37, p. 16181, doi. 10.1002/anie.202006463

By:

Georg, Isabelle;
Bursch, Markus;
Stückrath, Julius B.;
Alig, Edith;
Bolte, Michael;
Lerner, Hans‐Wolfram;
Grimme, Stefan;
Wagner, Matthias

Publication type:

Article

Structure Optimisation of Large Transition‐Metal Complexes with Extended Tight‐Binding Methods.

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 32, p. 11078, doi. 10.1002/anie.201904021

By:

Bursch, Markus;
Neugebauer, Hagen;
Grimme, Stefan

Publication type:

Article

Mild Cobalt(III)-Catalyzed Allylative C−F/C−H Functionalizations at Room Temperature.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 50, p. 12145, doi. 10.1002/chem.201702528

By:

Zell, Daniel;
Müller, Valentin;
Dhawa, Uttam;
Bursch, Markus;
Presa, Rubén Rubio;
Grimme, Stefan;
Ackermann, Lutz

Publication type:

Article

Intermolecular Redox-Neutral Amine C−H Functionalization Induced by the Strong Boron Lewis Acid B(C6F5)3 in the Frustrated Lewis Pair Regime.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 19, p. 4723, doi. 10.1002/chem.201700477

By:

Chen, Guo ‐ Qiang;
Kehr, Gerald;
Daniliuc, Constantin G.;
Bursch, Markus;
Grimme, Stefan;
Erker, Gerhard

Publication type:

Article

Full Selectivity Control in Cobalt(III)-Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism.

Published in:

Angewandte Chemie, 2017, v. 129, n. 35, p. 10514, doi. 10.1002/ange.201704196

By:

Zell, Daniel;
Bursch, Markus;
Müller, Valentin;
Grimme, Stefan;
Ackermann, Lutz

Publication type:

Article

Computational study of ground‐state properties of μ2‐bridged group 14 porphyrinic sandwich complexes.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 3, p. 229, doi. 10.1002/jcc.26870

By:

Kohn, Julia;
Bursch, Markus;
Hansen, Andreas;
Grimme, Stefan

Publication type:

Article

Electrophilic Phosphonium Cation‐Mediated Phosphane Oxide Reduction Using Oxalyl Chloride and Hydrogen.

Published in:

Angewandte Chemie International Edition, 2018, v. 57, n. 46, p. 15253, doi. 10.1002/anie.201809275

By:

Stepen, Arne J.;
Bursch, Markus;
Grimme, Stefan;
Stephan, Douglas W.;
Paradies, Jan

Publication type:

Article

Full Selectivity Control in Cobalt(III)-Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 35, p. 10378, doi. 10.1002/anie.201704196

By:

Zell, Daniel;
Bursch, Markus;
Müller, Valentin;
Grimme, Stefan;
Ackermann, Lutz

Publication type:

Article

Works matching AU Bursch, Markus

Hydrogen atom transfer rates from Tp-containing metal-hydrides to trityl radicals.

Modular Bicyclophane‐Based Molecular Platforms.

Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis.

Quantification of Noncovalent Interactions in Azide–Pnictogen, –Chalcogen, and –Halogen Contacts.

Confined Lewis Pairs: Investigation of the X<sup>−</sup>→Si<sub>20</sub> Interaction in Halogen‐Encapsulating Silafulleranes.

London Dispersion Effects in a Distannene/Tristannane Equilibrium: Energies of their Interconversion and the Suppression of the Monomeric Stannylene Intermediate.

Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**.

Building up Strain in One Step: Synthesis of an Edge‐Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion.

Structure Optimisation of Large Transition‐Metal Complexes with Extended Tight‐Binding Methods.

Reduktion von Phosphanoxiden mit Oxalylchlorid und Wasserstoff, vermittelt durch ein elektrophiles Phosphoniumkation.

Confined Lewis Pairs: Investigation of the X<sup>−</sup>→Si<sub>20</sub> Interaction in Halogen‐Encapsulating Silafulleranes.

London Dispersion Effects in a Distannene/Tristannane Equilibrium: Energies of their Interconversion and the Suppression of the Monomeric Stannylene Intermediate.

Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**.

Building up Strain in One Step: Synthesis of an Edge‐Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion.

Structure Optimisation of Large Transition‐Metal Complexes with Extended Tight‐Binding Methods.

Mild Cobalt(III)-Catalyzed Allylative C−F/C−H Functionalizations at Room Temperature.

Intermolecular Redox-Neutral Amine C−H Functionalization Induced by the Strong Boron Lewis Acid B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the Frustrated Lewis Pair Regime.

Full Selectivity Control in Cobalt(III)-Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism.

Computational study of ground‐state properties of μ<sub>2</sub>‐bridged group 14 porphyrinic sandwich complexes.

Electrophilic Phosphonium Cation‐Mediated Phosphane Oxide Reduction Using Oxalyl Chloride and Hydrogen.

Full Selectivity Control in Cobalt(III)-Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism.