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Inorganic Chemistry|December 5, 2006
Trinuclear copper(II) complexes derived from Schiff-base ligands based on a 6-amino-6-deoxyglucopyranoside: structural and magnetic characterizationArne Roth, Jana Becher, Carmen Herrmann, et al.Digital Discovery|June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planningAlessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 21, 2008
Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductaseDariush Hinderberger, Sieglinde Ebner, Stefan Mayr, et al.Accounts of Chemical Research|December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction PathsAlberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 2, 2007
The electronic structure of the tris(ethylene) complexes [M(C2H4)3] (M=Ni, Pd, and Pt): a combined experimental and theoretical studyNicole Hebben, Hans-Jörg Himmel, Georg Eickerling, et al.Chimia|May 1, 2016
New Approaches for ab initio Calculations of Molecules with Strong Electron CorrelationStefan Knecht, Erik Donovan Hedegård, Sebastian Keller, et al.The Journal of Physical Chemistry. A|August 1, 2025
QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization GroupKalman Szenes, Nina Glaser, Mihael Erakovic, et al.Organic Letters|August 29, 2013
Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A)Maurice Klopfleisch, Raphael A Seidel, Helmar Görls, et al.Journal of the American Chemical Society|March 11, 2008
Gas-phase C-H and N-H bond activation by a high valent nitrido-iron dication and NH-transfer to activated olefinsMaria Schlangen, Johannes Neugebauer, Markus Reiher, et al.Journal of the American Chemical Society|January 24, 2024
Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide IntermediateMatthias Tinzl, Johannes V Diedrich, Peer R E Mittl, et al.Pageof 26