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Angewandte Chemie (International Ed. in English)|August 28, 2022
Quantum Interference in Mixed-Valence Complexes: Tuning Electronic Coupling Through Substituent EffectsDaniel P Harrison, Robin Grotjahn, Masnun Naher, et al.The Journal of Organic Chemistry|October 27, 2015
Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical InvestigationsJosef B G Gluyas, Valentina Manici, Simon Gückel, et al.Journal of the American Chemical Society|September 2, 2020
Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by NMRAndrea Bertarello, Ladislav Benda, Kevin J Sanders, et al.Journal of the American Chemical Society|August 29, 2002
Multifrequency EPR study and density functional g-tensor calculations of persistent organorhenium radical complexesStéphanie Frantz, Heiko Hartmann, Natasa Doslik, et al.Inorganic Chemistry|July 17, 2008
Oxoperoxo vanadium(V) complexes of L-lactic acid: density functional theory study of structure and NMR chemical shiftsLicínia L G Justino, M Luísa Ramos, Fernando Nogueira, et al.Proceedings of the National Academy of Sciences of the United States of America|January 6, 2026
Hydroxo-bridged active site of flavodiiron NO reductase revealed by NRVS and DFTFilipe Folgosa, Vladimir Pelmenschikov, Giorgio Caserta, et al.Chemical Science|June 24, 2021
Hydroxy-bridged resting states of a [NiFe]-hydrogenase unraveled by cryogenic vibrational spectroscopy and DFT computationsGiorgio Caserta, Vladimir Pelmenschikov, Christian Lorent, et al.Nature Chemical Biology|April 8, 2014
Reversible [4Fe-3S] cluster morphing in an O(2)-tolerant [NiFe] hydrogenaseStefan Frielingsdorf, Johannes Fritsch, Andrea Schmidt, et al.The Journal of Chemical Physics|May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulationsSree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, et al.Journal of Chemical Theory and Computation|June 29, 2023
TURBOMOLE: Today and TomorrowYannick J Franzke, Christof Holzer, Josefine H Andersen, et al.Pageof 26