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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.Journal of Computational Chemistry|June 22, 2012
M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculationsThomas Weymuth, Moritz P Haag, Karin Kiewisch, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 10, 2009
Organofluorosilanes as model compounds for 18F-labeled silicon-based PET tracers and their hydrolytic stability: experimental data and theoretical calculations (PET = positron emission tomography)Aileen Höhne, Lian Yu, Linjing Mu, et al.Physical Chemistry Chemical Physics : PCCP|March 14, 2015
Orbital entanglement and CASSCF analysis of the Ru-NO bond in a Ruthenium nitrosyl complexLeon Freitag, Stefan Knecht, Sebastian F Keller, et al.Journal of the American Chemical Society|July 26, 2008
A nickel hydride complex in the active site of methyl-coenzyme m reductase: implications for the catalytic cycleJeffrey Harmer, Cinzia Finazzo, Rafal Piskorski, et al.Journal of the American Chemical Society|December 15, 2005
Synthesis of chiral self-assembling rhombs and their characterization in solution, in the gas phase, and at the liquid-solid interfaceKyung Seok Jeong, Sun Young Kim, Ueon-Sang Shin, et al.Pageof 26