Tabu search based global optimization algorithms for problems in computational chemistry

Yazar: Grebner, Christoph, Becker, Johannes, Weber, Daniel, Engels, Bernd
Baskı/Yayın Bilgisi 2012

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

Yazar: Paasche, Alexander, Schiller, Markus, Schirmeister, Tanja, Engels, Bernd
Yayımlandı ChemMedChem (2010)

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

Yazar: Rentz, OttoFröhling, MagnusNebel, FalkSchultmann, FrankEngels, Bernd
Baskı/Yayın Bilgisi 2006

Multidimensional spectroscopy of photoreactivity

Yazar: Ruetzel, Stefan, Diekmann, Meike, Nuernberger, Patrick, Walter, Christof, Engels, Bernd, Brixner, Tobias
Baskı/Yayın Bilgisi 2014

Experimental and theoretical investigations into the stability of cyclic aminals

Yazar: Sawatzky, Edgar, Drakopoulos, Antonios, Rölz, Martin, Sotriffer, Christoph, Engels, Bernd, Decker, Michael
Yayımlandı Beilstein J Org Chem (2016)

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

Yazar: Schwarz, Roland, Musch, Patrick, von Kamp, Axel, Engels, Bernd, Schirmer, Heiner, Schuster, Stefan, Dandekar, Thomas
Baskı/Yayın Bilgisi 2005

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

Yazar: Thiess, Torsten, Bélanger‐Chabot, Guillaume, Fantuzzi, Felipe, Michel, Maximilian, Ernst, Moritz, Engels, Bernd, Braunschweig, Holger
Yayımlandı 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

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

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

Yazar: Rempel, Anna, Mellerup, Soren K., Fantuzzi, Felipe, Herzog, Anselm, Deißenberger, Andrea, Bertermann, Rüdiger, Engels, Bernd, Braunschweig, Holger
Yayımlandı Chemistry (2020)

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

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

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

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

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

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

Isolation and Reactivity of an Antiaromatic s‐Block Metal Compound

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

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

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

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

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

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

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

Reduction and Rearrangement of a Boron(I) Carbonyl Complex

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

Methylbismuth: an organometallic bismuthinidene biradical

Yazar: 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
Yayımlandı Chem Sci (2020)

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

Yazar: 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
Yayımlandı Angew Chem Int Ed Engl (2020)

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

Yazar: 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
Yayımlandı Molecules (2020)