Tabu search based global optimization algorithms for problems in computational chemistry

Autor Grebner, Christoph, Becker, Johannes, Weber, Daniel, Engels, Bernd
Vydáno 2012

Mechanistic Study of the Reaction of Thiol‐Containing Enzymes with α,β‐Unsaturated Carbonyl Substrates by Computation and Chemoassays

Autor Paasche, Alexander, Schiller, Markus, Schirmeister, Tanja, Engels, Bernd
Vydáno v ChemMedChem (2010)

Integrierter Umweltschutz in der Metallerzeugung: Simulationsgestützte operative Produktionsplanung zur Optimierung metallurgischer Abfallverwertungsprozesse. Schlussbericht des Fo...

Autor Rentz, OttoFröhling, MagnusNebel, FalkSchultmann, FrankEngels, Bernd
Vydáno 2006

Multidimensional spectroscopy of photoreactivity

Autor Ruetzel, Stefan, Diekmann, Meike, Nuernberger, Patrick, Walter, Christof, Engels, Bernd, Brixner, Tobias
Vydáno 2014

Experimental and theoretical investigations into the stability of cyclic aminals

Autor Sawatzky, Edgar, Drakopoulos, Antonios, Rölz, Martin, Sotriffer, Christoph, Engels, Bernd, Decker, Michael
Vydáno v Beilstein J Org Chem (2016)

YANA – a software tool for analyzing flux modes, gene-expression and enzyme activities

Autor Schwarz, Roland, Musch, Patrick, von Kamp, Axel, Engels, Bernd, Schirmer, Heiner, Schuster, Stefan, Dandekar, Thomas
Vydáno 2005

Diborane(4) Azides: Surprisingly Stable Sources of Transient Iminoboranes

Autor Thiess, Torsten, Bélanger‐Chabot, Guillaume, Fantuzzi, Felipe, Michel, Maximilian, Ernst, Moritz, Engels, Bernd, Braunschweig, Holger
Vydáno v Angew Chem Int Ed Engl (2020)

Isolation of Neutral, Mono‐, and Dicationic B(2)P(2) Rings by Diphosphorus Addition to a Boron−Boron Triple Bond

Autor Brückner, Tobias, Fantuzzi, Felipe, Stennett, Tom E., Krummenacher, Ivo, Dewhurst, Rian D., Engels, Bernd, Braunschweig, Holger
Vydáno v Angew Chem Int Ed Engl (2021)

Functionalization of N(2) via Formal 1,3‐Haloboration of a Tungsten(0) σ‐Dinitrogen Complex

Autor Rempel, Anna, Mellerup, Soren K., Fantuzzi, Felipe, Herzog, Anselm, Deißenberger, Andrea, Bertermann, Rüdiger, Engels, Bernd, Braunschweig, Holger
Vydáno v Chemistry (2020)

Oxidation, Coordination, and Nickel‐Mediated Deconstruction of a Highly Electron‐Rich Diboron Analogue of 1,3,5‐Hexatriene

Autor Hermann, Alexander, Fantuzzi, Felipe, Arrowsmith, Merle, Zorn, Theresa, Krummenacher, Ivo, Ritschel, Benedikt, Radacki, Krzysztof, Engels, Bernd, Braunschweig, Holger
Vydáno v Angew Chem Int Ed Engl (2020)

Twisting versus Delocalization in CAAC‐ and NHC‐Stabilized Boron‐Based Biradicals: The Roles of Sterics and Electronics

Autor Schmid, Paul, Fantuzzi, Felipe, Klopf, Jonas, Schröder, Niklas B., Dewhurst, Rian D., Braunschweig, Holger, Engel, Volker, Engels, Bernd
Vydáno v Chemistry (2021)

Highly Conjugated π‐Systems Arising from Cannibalistic Hexadehydro‐Diels–Alder Couplings: Cleavage of C−C Single and Triple Bonds

Autor Maier, Jan, Deutsch, Marian, Merz, Julia, Ye, Qing, Diamond, Oliver, Schilling, Maja‐Tessa, Friedrich, Alexandra, Engels, Bernd, Marder, Todd B.
Vydáno v Chemistry (2020)

Isolation and Reactivity of an Antiaromatic s‐Block Metal Compound

Autor Roy, Dipak Kumar, Tröster, Tobias, Fantuzzi, Felipe, Dewhurst, Rian D., Lenczyk, Carsten, Radacki, Krzysztof, Pranckevicius, Conor, Engels, Bernd, Braunschweig, Holger
Vydáno v Angew Chem Int Ed Engl (2020)

Boranediyl‐ and Diborane(4)‐1,2‐diyl‐Bridged Platinum A‐Frame Complexes

Autor Brunecker, Carina, Müssig, Jonas H., Arrowsmith, Merle, Fantuzzi, Felipe, Stoy, Andreas, Böhnke, Julian, Hofmann, Alexander, Bertermann, Rüdiger, Engels, Bernd, Braunschweig, Holger
Vydáno v Chemistry (2020)

Predicting (19)F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase–Inhibitor Complex

Autor Dietschreit, Johannes C. B., Wagner, Annika, Le, T. Anh, Klein, Philipp, Schindelin, Hermann, Opatz, Till, Engels, Bernd, Hellmich, Ute A., Ochsenfeld, Christian
Vydáno v Angew Chem Int Ed Engl (2020)

Product-oriented chemical surface modification of a levansucrase (SacB) via an ene-type reaction

Autor Ortiz-Soto, Maria Elena, Ertl, Julia, Mut, Jürgen, Adelmann, Juliane, Le, Thien Anh, Shan, Junwen, Teßmar, Jörg, Schlosser, Andreas, Engels, Bernd, Seibel, Jürgen
Vydáno v Chem Sci (2018)

Reduction and Rearrangement of a Boron(I) Carbonyl Complex

Autor Rang, Maximilian, Fantuzzi, Felipe, Arrowsmith, Merle, Krummenacher, Ivo, Beck, Eva, Witte, Robert, Matler, Alexander, Rempel, Anna, Bischof, Tobias, Radacki, Krzysztof, Engels, Bernd, Braunschweig, Holger
Vydáno v Angew Chem Int Ed Engl (2020)

Methylbismuth: an organometallic bismuthinidene biradical

Autor Mukhopadhyay, Deb Pratim, Schleier, Domenik, Wirsing, Sara, Ramler, Jacqueline, Kaiser, Dustin, Reusch, Engelbert, Hemberger, Patrick, Preitschopf, Tobias, Krummenacher, Ivo, Engels, Bernd, Fischer, Ingo, Lichtenberg, Crispin
Vydáno v Chem Sci (2020)

cAAC‐Stabilized 9,10‐diboraanthracenes—Acenes with Open‐Shell Singlet Biradical Ground States

Autor Saalfrank, Christian, Fantuzzi, Felipe, Kupfer, Thomas, Ritschel, Benedikt, Hammond, Kai, Krummenacher, Ivo, Bertermann, Rüdiger, Wirthensohn, Raphael, Finze, Maik, Schmid, Paul, Engel, Volker, Engels, Bernd, Braunschweig, Holger
Vydáno v Angew Chem Int Ed Engl (2020)

New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Trypanosoma Protease Rhodesain

Autor Klein, Philipp, Johe, Patrick, Wagner, Annika, Jung, Sascha, Kühlborn, Jonas, Barthels, Fabian, Tenzer, Stefan, Distler, Ute, Waigel, Waldemar, Engels, Bernd, Hellmich, Ute A., Opatz, Till, Schirmeister, Tanja
Vydáno v Molecules (2020)