Works by Grimme, Stefan

Results: 330

Ergänzung: Reaktionen frustrierter Lewis-Paare mit konjugierten Inonen - selektive Hydrierung der Kohlenstoff-Kohlenstoff-Dreifachbindung.

Published in:

Angewandte Chemie, 2012, v. 124, n. 41, p. 10359, doi. 10.1002/ange.201206415

By:

Xu, Bao-Hua;
Kehr, Gerald;
Fröhlich, Roland;
Wibbeling, Birgit;
Schirmer, Birgitta;
Grimme, Stefan;
Erker, Gerhard

Publication type:

Article

Metal-free Catalytic Olefin Hydrogenation: Low-Temperature H2 Activation by Frustrated Lewis Pairs.

Published in:

Angewandte Chemie, 2012, v. 124, n. 40, p. 10311, doi. 10.1002/ange.201204007

By:

Greb, Lutz;
Oña-Burgos, Pascual;
Schirmer, Birgitta;
Grimme, Stefan;
Stephan, Douglas W.;
Paradies, Jan

Publication type:

Article

Sterische Hinderung kann ein labiles Molekül stabilisieren: zur Lösung des Hexaphenylethan-Rätsels.

Published in:

Angewandte Chemie, 2011, v. 123, n. 52, p. 12849, doi. 10.1002/ange.201103615

By:

Grimme, Stefan;
Schreiner, Peter R.

Publication type:

Article

Capture of NO by a Frustrated Lewis Pair: A New Type of Persistent N-Oxyl Radical.

Published in:

Angewandte Chemie, 2011, v. 123, n. 33, p. 7709, doi. 10.1002/ange.201101622

By:

Cardenas, Allan Jay P.;
Culotta, Brooks J.;
Warren, Timothy H.;
Grimme, Stefan;
Stute, Annika;
Fröhlich, Roland;
Kehr, Gerald;
Erker, Gerhard

Publication type:

Article

Reaktionen frustrierter Lewis-Paare mit konjugierten Inonen - selektive Hydrierung der Kohlenstoff-Kohlenstoff-Dreifachbindung.

Published in:

Angewandte Chemie, 2011, v. 123, n. 31, p. 7321, doi. 10.1002/ange.201101051

By:

Xu, Bao-Hua;
Kehr, Gerald;
Fröhlich, Roland;
Wibbeling, Birgit;
Schirmer, Birgitta;
Grimme, Stefan;
Erker, Gerhard

Publication type:

Article

Hoch asymmetrische NHC-katalysierte Hydroacylierung nichtaktivierter Alkene.

Published in:

Angewandte Chemie, 2011, v. 123, n. 21, p. 5087, doi. 10.1002/ange.201008081

By:

Piel, Isabel;
Steinmetz, Marc;
Hirano, Keiichi;
Fröhlich, Roland;
Grimme, Stefan;
Glorius, Frank

Publication type:

Article

Identification of Thiazolidinones Spiro-Fused to Indolin-2-ones as Potent and Selective Inhibitors of the Mycobacterium tuberculosis Protein Tyrosine Phosphatase B.

Published in:

Angewandte Chemie, 2010, v. 122, n. 34, p. 6038, doi. 10.1002/ange.201002138

By:

Vintonyak, Viktor V.;
Warburg, Karin;
Kruse, Holger;
Grimme, Stefan;
Hübel, Katja;
Rauh, Daniel;
Waldmann, Herbert

Publication type:

Article

Cyclische Allene und Cumulene durch kooperative Addition frustrierter Lewis-Paare an konjugierte Enine und Diine.

Published in:

Angewandte Chemie, 2010, v. 122, n. 13, p. 2464, doi. 10.1002/ange.200906697

By:

Mömming, Cornelia M.;
Kehr, Gerald;
Wibbeling, Birgit;
Fröhlich, Roland;
Schirmer, Birgitta;
Grimme, Stefan;
Erker, Gerhard

Publication type:

Article

Neue Einblicke in den Mechanismus der Diwasserstoff-Aktivierung durch frustrierte Lewis-Paare.

Published in:

Angewandte Chemie, 2010, v. 122, n. 8, p. 1444, doi. 10.1002/ange.200905484

By:

Grimme, Stefan;
Kruse, Holger;
Goerigk, Lars;
Erker, Gerhard

Publication type:

Article

Scheinbar einfache stereo-elektronische Effekte in Alkan-Isomeren und ihre Auswirkungen für die Kohn-Sham-DichtefunktionaltheorieDiese Arbeit wurde von der Deutschen Forschungsgemeinschaft im Rahmen des SFB 424 (“Molekulare...

Published in:

Angewandte Chemie, 2006, v. 118, n. 27, p. 4571, doi. 10.1002/ange.200600448

By:

Stefan Grimme

Publication type:

Article

Elucidation of the Mechanism of Titanocene-Mediated Epoxide Opening by a Combined Experimental and Theoretical ApproachWe are indebted to the Danish Natural Science Research Council, the Deutsche Forschungsgemeinschaft, and the Fonds der Chemischen Industrie for generous financial support.

Published in:

Angewandte Chemie, 2006, v. 118, n. 13, p. 2095, doi. 10.1002/ange.200504176

By:

Kim Daasbjerg;
Heidi Svith;
Stefan Grimme;
Mareike Gerenkamp;
Christian Mück-Lichtenfeld;
Andreas Gansäuer;
Andriy Barchuk;
Florian Keller

Publication type:

Article

The Importance of Inter- and Intramolecular van der Waals Interactions in Organic Reactions: the Dimerization of Anthracene RevisitedThis work was supported by the Deutsche Forschungsgemeinschaft in the framework of the SFB 424 (“Molekulare Orientierung als Funktionskriterium in chemischen Systemen”). The authors thank C. Mück-Lichtenfeld for technical assistance.

Published in:

Angewandte Chemie, 2006, v. 118, n. 4, p. 641, doi. 10.1002/ange.200502440

By:

Stefan Grimme;
Christian Diedrich;
Martin Korth

Publication type:

Article

Calculation of conformational energies and optical rotation of the most simple chiral alkane.

Published in:

Chirality, 2008, v. 20, n. 9, p. 1009, doi. 10.1002/chir.20551

By:

Grimme, Stefan;
Mück-Lichtenfeld, Christian

Publication type:

Article

Ab initio calculations for the optical rotations of conformationally flexible molecules: A case study on six-, seven-, and eight-membered fluorinated cycloalkanol esters.

Published in:

Chirality, 2002, v. 14, n. 10, p. 793, doi. 10.1002/chir.10140

By:

Grimme, Stefan;
Bahlmann, Arnold;
Haufe, Günter

Publication type:

Article

Synthesis, structure, and chiroptical properties of the first 4-Oxa[7]Paracyclophane.

Published in:

Chirality, 1998, v. 10, n. 1/2, p. 147, doi. 10.1002/chir.23

By:

Grimme, Stefan;
Pischel, Ivo;
Laufenberg, Susanne;
Vögtle, Fritz

Publication type:

Article

Moderate value of non-contrast magnetic resonance imaging after non-dislocating shoulder trauma.

Published in:

2016

By:

Banerjee, Marc;
Müller-Hübenthal, Jonas;
Grimme, Stefan;
Balke, Maurice;
Bouillon, Bertil;
Lefering, Rolf;
Goßmann, Axel;
Shafizadeh, Sven;
Müller-Hübenthal, Jonas;
Goßmann, Axel

Publication type:

journal article

Accurate Computation of Structures and Strain Energies of Cyclophanes with Modern DFT Methods.

Published in:

Israel Journal of Chemistry, 2012, v. 52, n. 1/2, p. 180, doi. 10.1002/ijch.201100099

By:

Grimme, Stefan;
Mück-Lichtenfeld, Christian

Publication type:

Article

Origin of the Ligand Ring‐Size Effect on the Catalytic Activity of Cationic Calcium Hydride Dimers in the Hydrogenation of Unactivated 1‐Alkenes.

Published in:

ChemistryOpen, 2022, v. 11, n. 12, p. 1, doi. 10.1002/open.202200240

By:

Zhu, Hui;
Qu, Zheng‐Wang;
Grimme, Stefan

Publication type:

Article

Acid‐Catalyzed Rearrangements of 3‐Aryloxirane‐2‐Carboxamides: Novel DFT Mechanistic Insights.

Published in:

ChemistryOpen, 2020, v. 9, n. 7, p. 743, doi. 10.1002/open.202000110

By:

Qu, Zheng‐Wang;
Zhu, Hui;
Katsyuba, Sergey A.;
Mamedova, Vera L.;
Mamedov, Vakhid A.;
Grimme, Stefan

Publication type:

Article

Acylation Reactions of Dibenzo‐7‐phosphanorbornadiene: DFT Mechanistic Insights.

Published in:

ChemistryOpen, 2019, v. 8, n. 6, p. 807, doi. 10.1002/open.201900176

By:

Qu, Zheng‐Wang;
Zhu, Hui;
Grimme, Stefan

Publication type:

Article

Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources.

Published in:

ChemistryOpen, 2016, v. 5, n. 2, p. 94, doi. 10.1002/open.201500192

By:

Sure, Rebecca;
Brandenburg, Jan Gerit;
Grimme, Stefan

Publication type:

Article

The Thermochemistry of London Dispersion-Driven Transition Metal Reactions: Getting the 'Right Answer for the Right Reason'.

Published in:

ChemistryOpen, 2014, v. 3, n. 5, p. 177, doi. 10.1002/open.201402017

By:

Hansen, Andreas;
Bannwarth, Christoph;
Grimme, Stefan;
Petrović, Predrag;
Werlé, Christophe;
Djukic, Jean-Pierre

Publication type:

Article

Benchmark Study of the Performance of Density Functional Theory for Bond Activations with (Ni,Pd)‐Based Transition‐Metal Catalysts.

Published in:

ChemistryOpen, 2013, v. 2, n. 3, p. 115, doi. 10.1002/open.201300012

By:

Steinmetz, Marc;
Grimme, Stefan

Publication type:

Article

Performance of dispersion-corrected density functional theory for thermochemistry and non-covalent interactions.

Published in:

2012

By:

Hujo, Waldemar;
Grimme, Stefan

Publication type:

Abstract

Theoretical Study of the Effects of Phosphane Substituents on the Bonding Properties of Acetylene with Ni(PR3)2 (R = H, CH3, F, CF3, C6H5).

Published in:

European Journal of Inorganic Chemistry, 2006, v. 2006, n. 1, p. 213

By:

Manuel Piacenza;
Julia Rakow;
Isabella Hyla-Kryspin;
Stefan Grimme

Publication type:

Article

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

Cover Feature: Fluorination/Dearomatization of C6F5 Groups: An FLP Route to an Electrophilic Borane and Non‐Coordinating Anions (Chem. Eur. J. 43/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202401776

By:

Kim, Hyehwang;
Mandal, Dipendu;
Ng, Joshua Kye Jin;
Qu, Zheng‐Wang;
Grimme, Stefan;
Stephan, Douglas W.

Publication type:

Article

Fluorination/Dearomatization of C6F5 Groups: An FLP Route to an Electrophilic Borane and Non‐Coordinating Anions.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202401776

By:

Kim, Hyehwang;
Mandal, Dipendu;
Ng, Joshua Kye Jin;
Qu, Zheng‐Wang;
Grimme, Stefan;
Stephan, Douglas W.

Publication type:

Article

Reactivity of Frustrated Lewis Pair: Carbocation versus Radical Intermediates.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 11, p. 1, doi. 10.1002/chem.202303901

By:

Qu, Zheng‐Wang;
Zhu, Hui;
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

PI and PIII Ions Supported by BZIMPY Ligands.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 70, p. 1, doi. 10.1002/chem.202302558

By:

LaFortune, James H. W.;
Swidan, Ala'aeddeen;
Ovens, Jeffrey S.;
Qu, Zheng‐Wang;
Grimme, Stefan;
Land, Michael A.;
Macdonald, Charles L. B.

Publication type:

Article

Photoredox Catalyzed Single C−F Bond Activation of Trifluoromethyl Ketones: A Solvent Controlled Divergent Access of gem‐Difluoromethylene Containing Scaffolds.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 12, p. 1, doi. 10.1002/chem.202203428

By:

Ghosh, Soumen;
Qu, Zheng‐Wang;
Roy, Sourav;
Grimme, Stefan;
Chatterjee, Indranil

Publication type:

Article

Multifunctional Organocatalysts ‐ Singly‐Linked and Macrocyclic Bisphosphoric Acids for Asymmetric Phase‐Transfer and Brønsted‐Acid Catalysis.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 2, p. 1, doi. 10.1002/chem.202202953

By:

Thiele, Maike;
Rose, Thomas;
Lõkov, Märt;
Stadtfeld, Sophia;
Tshepelevitsh, Sofja;
Parman, Elisabeth;
Opara, Karina;
Wölper, Christoph;
Leito, Ivo;
Grimme, Stefan;
Niemeyer, Jochen

Publication type:

Article

Calcium Hydride Cation Dimer Catalyzed Hydrogenation of Unactivated 1‐Alkenes and H2 Isotope Exchange: Competitive Ca−H−Ca Bridges and Terminal Ca−H Bonds.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 1, p. 1, doi. 10.1002/chem.202202602

By:

Qu, Zheng‐Wang;
Zhu, Hui;
Grimme, Stefan

Publication type:

Article

Reactions of Diethylazo‐Dicarboxylate with Frustrated Lewis Pairs.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 53, p. 1, doi. 10.1002/chem.202201701

By:

Mandal, Dipendu;
Chen, Ting;
Qu, Zheng‐Wang;
Grimme, Stefan;
Stephan, Douglas W.

Publication type:

Article

The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200529

By:

Grimm, Laura M.;
Spicher, Sebastian;
Tkachenko, Boryslav;
Schreiner, Peter R.;
Grimme, Stefan;
Biedermann, Frank

Publication type:

Article

Quantum Chemistry‐based Molecular Dynamics Simulations as a Tool for the Assignment of ESI‐MS/MS Spectra of Drug Molecules.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 27, p. 1, doi. 10.1002/chem.202200318

By:

Schnegotzki, Romina;
Koopman, Jeroen;
Grimme, Stefan;
Süssmuth, Roderich D.

Publication type:

Article

The Non‐Ancillary Nature of Trimethylsilylamide Substituents in Boranes and Borinium Cations.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 27, p. 1, doi. 10.1002/chem.202200698

By:

Major, Christopher J.;
Qu, Zheng‐Wang;
Grimme, Stefan;
Stephan, Douglas W.

Publication type:

Article

The Varied Frustrated Lewis Pair Reactivity of the Germylene Phosphaketene (CH{(CMe)(2,6‐iPr2C6H3N)}2)GePCO.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200666

By:

Wu, Yile;
Zhao, Zhao;
Chen, Ting;
Tan, Jingjie;
Qu, Zheng‐Wang;
Grimme, Stefan;
Zhao, Yufen;
Stephan, Douglas W.

Publication type:

Article

Stereochemical Behavior of Pairs of P‐stereogenic Phosphanyl Groups at the Dimethylxanthene Backbone.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 20, p. 1, doi. 10.1002/chem.202200248

By:

Škoch, Karel;
Daniliuc, Constantin G.;
Müller, Marcel;
Grimme, Stefan;
Kehr, Gerald;
Erker, Gerhard

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

Frustrated Lewis‐Pair Neighbors at the Xanthene Framework: Epimerization at Phosphorus and Cooperative Formation of Macrocyclic Adduct Structures.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 47, p. 12104, doi. 10.1002/chem.202100835

By:

Škoch, Karel;
Daniliuc, Constantin G.;
Kehr, Gerald;
Ehlert, Sebastian;
Müller, Marcel;
Grimme, Stefan;
Erker, Gerhard

Publication type:

Article

Ox‐SLIM: Synthesis of and Site‐Specific Labelling with a Highly Hydrophilic Trityl Spin Label.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 16, p. 5292, doi. 10.1002/chem.202100013

By:

Fleck, Nico;
Heubach, Caspar;
Hett, Tobias;
Spicher, Sebastian;
Grimme, Stefan;
Schiemann, Olav

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

Sensory Perception of Non‐Deuterated and Deuterated Organic Compounds.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 3, p. 1046, doi. 10.1002/chem.202003754

By:

Salthammer, Tunga;
Monegel, Friederike;
Schulz, Nicole;
Uhde, Erik;
Grimme, Stefan;
Seibert, Jakob;
Hohm, Uwe;
Palm, Wolf‐Ulrich

Publication type:

Article

Wissenschaft aktuell.

Published in:

Chemie in unserer Zeit, 1999, v. 33, n. 6, p. 367, doi. 10.1002/ciuz.19990330608

By:

Manz, Jörn;
Wendeler, Michaela;
Kolter, Thomas;
Grimme, Stefan;
Jaenicke, Lothar

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

Phosphino‐Phosphination Reactions: Frustrated Lewis Pair Reactivity of Phosphino‐Phosphonium Cations with Alkynes.

Published in:

Angewandte Chemie, 2023, v. 135, n. 43, p. 1, doi. 10.1002/ange.202312587

By:

Kim, Hyehwang;
Qu, Zheng‐wang;
Grimme, Stefan;
Al‐Zuhaika, Nahil;
Stephan, Douglas W.

Publication type:

Article

A Nuclearity‐Dependent Enantiodivergent Epoxide Opening via Enthalpy‐Controlled Mononuclear and Entropy‐Controlled Dinuclear (Salen)Titanium Catalysis.

Published in:

Angewandte Chemie, 2023, v. 135, n. 37, p. 1, doi. 10.1002/ange.202309525

By:

Li, Shengxiao;
Zhu, Hui;
Li, Longfei;
Chen, Wanjiao;
Jiang, Jie;
Qu, Zheng‐Wang;
Grimme, Stefan;
Zhang, Yong‐Qiang

Publication type:

Article

Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs.

Published in:

Angewandte Chemie, 2023, v. 135, n. 35, p. 1, doi. 10.1002/ange.202308752

By:

Sieland, Benedikt;
Stahn, Marcel;
Schoch, Roland;
Daniliuc, Constantin;
Spicher, Sebastian;
Grimme, Stefan;
Hansen, Andreas;
Paradies, Jan

Publication type:

Article