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The Journal of Physical Chemistry. B|April 9, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitorsMilena Mladenovic, Konstantin Junold, Reinhold F Fink, et al.Chemical Science|June 3, 2022
Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?Felipe Fantuzzi, Yinchun Jiao, Rian D Dewhurst, et al.Journal of Computational Chemistry|October 14, 2018
A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregatesWenlan Liu, Sofia Canola, Andreas Köhn, et al.Physical Chemistry Chemical Physics : PCCP|May 14, 2011
Paracyclophanes as model compounds for strongly interacting π-systems. Part 2: mono-hydroxy[2.2]paracyclophaneChristof Schon, Wolfgang Roth, Ingo Fischer, et al.The Journal of Physical Chemistry. B|August 21, 2008
Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitorsMilena Mladenovic, Kay Ansorg, Reinhold F Fink, et al.Journal of Computational Chemistry|September 2, 2022
Structure and bonding of proximity-enforced main-group dimers stabilized by a rigid naphthyridine diimine ligandJonas Weiser, Jingjing Cui, Rian D Dewhurst, et al.Journal of Computational Chemistry|July 25, 2014
CAST: a new program package for the accurate characterization of large and flexible molecular systemsChristoph Grebner, Johannes Becker, Daniel Weber, et al.Journal of the American Chemical Society|April 29, 2004
Si-E (E = N, O, F) bonding in a hexacoordinated silicon complex: new facts from experimental and theoretical charge density studiesNikolaus Kocher, Julian Henn, Boris Gostevskii, et al.The Journal of Organic Chemistry|August 4, 2025
Optimizing the Catalytic Performance of Amine-Functionalized 4CzIPN Derivatives by Investigation of the Twisted Intramolecular Charge Transfer EffectAngela Münch, Jonas Klopf, Laura Sojka, et al.Journal of the American Chemical Society|November 5, 2024
Impurities in Arylboronic Esters Induce Persistent AfterglowZhu Wu, Christoph Herok, Alexandra Friedrich, et al.Pageof 17