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The Journal of Chemical Physics|March 4, 2006
Resolution of identity Dirac-Kohn-Sham method using the large component only: Calculations of g-tensor and hyperfine tensorStanislav Komorovský, Michal Repiský, Olga L Malkina, et al.Journal of Computational Chemistry|May 16, 2002
Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operatorsMartin Kaupp, Roman Reviakine, Olga L Malkina, et al.Angewandte Chemie (International Ed. in English)|January 13, 2017
An Isolable Silicon Dicarbonate Complex from Carbon Dioxide Activation with a SilyloneAlexander Burchert, Shenglai Yao, Robert Müller, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 17, 2021
Competition for Hydride Between Silicon and Boron: Synthesis and Characterization of a Hydroborane-Stabilized Silylium IonHaopeng Gao, Robert Müller, Elisabeth Irran, et al.Angewandte Chemie (International Ed. in English)|October 27, 2016
Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First PrinciplesLadislav Benda, Jiří Mareš, Enrico Ravera, et al.Science (New York, N.Y.)|July 13, 2019
Characterization of hydrogen-substituted silylium ions in the condensed phaseQian Wu, Elisabeth Irran, Robert Müller, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 30, 2016
On the Activation of Methane and Carbon Dioxide by [HTaO](+) and [TaOH](+) in the Gas Phase: A Mechanistic StudyMarjan Firouzbakht, Nicole J Rijs, Patricio González-Navarrete, et al.Journal of Computational Chemistry|August 13, 2015
Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cationsMartin Kaupp, Simon Gückel, Manuel Renz, et al.Inorganic Chemistry|July 17, 2015
A Relativistic Quantum-Chemical Analysis of the trans Influence on (1)H NMR Hydride Shifts in Square-Planar Platinum(II) ComplexesAnja H Greif, Peter Hrobárik, Veronika Hrobáriková, et al.The Journal of Physical Chemistry Letters|January 28, 2026
Rotationally Resolved Predissociation Spectrum of the 15Φ ← X5Δ Rovibronic Band of FeHShan Jin, Marc Reimann, Christian van der Linde, et al.Pageof 26