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Journal of the American Chemical Society|October 29, 2009
Understanding ground- and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computationsHong-Mei Zhao, Johannes Pfister, Volker Settels, et al.Journal of the American Chemical Society|June 14, 2011
A neutral, monomeric germanium(I) radicalWilliam D Woodul, Emma Carter, Robert Müller, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 16, 2013
Refining the interpretation of near-infrared band shapes in a polyynediyl molecular wireMatthias Parthey, Josef B G Gluyas, Phil A Schauer, et al.The Journal of Physical Chemistry Letters|October 4, 2019
Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-propanedithiolate LigandEdward J Reijerse, Vladimir Pelmenschikov, James A Birrell, et al.Chemical Communications (Cambridge, England)|September 20, 2014
Synthesis and vibrational spectroscopy of (57)Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel-iron interactionDavid Schilter, Vladimir Pelmenschikov, Hongxin Wang, et al.Chemical Science|October 8, 2019
Insights from 125Te and 57Fe nuclear resonance vibrational spectroscopy: a [4Fe-4Te] cluster from two points of viewFlorian Wittkamp, Nakul Mishra, Hongxin Wang, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 4, 2019
A Spectroscopic and Computationally Minimal Approach to the Analysis of Charge-Transfer Processes in Conformationally Fluxional Mixed-Valence and Heterobimetallic ComplexesSimon Gückel, Josef B G Gluyas, Samantha G Eaves, et al.Chemical Science|December 9, 2017
Mechanism of the cooperative Si-H bond activation at Ru-S bondsTimo Stahl, Peter Hrobárik, C David F Königs, et al.The Journal of Chemical Physics|May 17, 2020
ReSpect: Relativistic spectroscopy DFT program packageMichal Repisky, Stanislav Komorovsky, Marius Kadek, et al.Journal of the American Chemical Society|May 26, 2005
Structure of the nitrogen-centered radical formed during inactivation of E. coli ribonucleotide reductase by 2'-azido-2'-deoxyuridine-5'-diphosphate: trapping of the 3'-ketonucleotideJörg Fritscher, Erin Artin, Stanislaw Wnuk, et al.Pageof 26