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Scientific Reports|May 28, 2015
A base-independent repair mechanism for DNA glycosylase--no discrimination within the active siteIris D Blank, Keyarash Sadeghian, Christian OchsenfeldJournal of Chemical Theory and Computation|September 19, 2025
Molecular Mechanism of ATP Hydrolysis Catalyzed by p97: A QM/MM StudyJudit Katalin Szántó, Andreas Hulm, Christian OchsenfeldJournal of Chemical Theory and Computation|September 30, 2024
A Constraint-Based Orbital-Optimized Excited State Method (COOX)Jörg Kussmann, Yannick Lemke, Anthea Weinbrenner, et al.Journal of the American Chemical Society|September 8, 2025
Mixed-Length Multivariate Covalent Organic Framework for Combined Near-Infrared Photodynamic Therapy and Drug DeliveryAndrés Rodríguez-Camargo, Erdost Yildiz, Diego Juela, et al.Physical Chemistry Chemical Physics : PCCP|August 11, 2007
Molecular recognition in molecular tweezers systems: quantum-chemical calculation of NMR chemical shiftsJan Zienau, Jörg Kussmann, Felix Koziol, et al.Journal of Chemical Theory and Computation|November 19, 2015
Calculated Nuclear Magnetic Resonance Spectra of Polytwistane and Related Hydrocarbon NanorodsBoris Maryasin, Martin Olbrich, Dirk Trauner, et al.The Journal of Chemical Physics|June 3, 2009
Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theoryJan Zienau, Lucien Clin, Bernd Doser, et al.The Journal of Chemical Physics|March 10, 2015
A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field levelJörg Kussmann, Arne Luenser, Matthias Beer, et al.The Journal of Chemical Physics|November 17, 2019
A Schwarz inequality for complex basis function methods in non-Hermitian quantum chemistryTravis H Thompson, Christian Ochsenfeld, Thomas-C JagauThe Journal of Chemical Physics|September 6, 2020
A Fermi smearing variant of the Tamm-Dancoff approximation for nonadiabatic dynamics involving S1-S0 transitions: Validation and application to azobenzeneLaurens D M Peters, Jörg Kussmann, Christian OchsenfeldPageof 27