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Accounts of Chemical Research|March 18, 2010
Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition StatesElfi Kraka, Dieter CremerInternational Journal of Molecular Sciences|March 28, 2009
Bonding in mercury-alkali molecules: Orbital-driven van der Waals complexesElfi Kraka, Dieter CremerDalton Transactions (Cambridge, England : 2003)|March 29, 2017
Generalization of the Tolman electronic parameter: the metal-ligand electronic parameter and the intrinsic strength of the metal-ligand bondDieter Cremer, Elfi KrakaChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 20, 2009
Characterization of CF bonds with multiple-bond character: bond lengths, stretching force constants, and bond dissociation energiesElfi Kraka, Dieter CremerThe Journal of Physical Chemistry. A|January 20, 2016
Extraordinary Mechanism of the Diels-Alder Reaction: Investigation of Stereochemistry, Charge Transfer, Charge Polarization, and Biradicaloid FormationThomas Sexton, Elfi Kraka, Dieter CremerThe Journal of Chemical Physics|March 5, 2014
Accurate determination of the binding energy of the formic acid dimer: the importance of geometry relaxationRobert Kalescky, Elfi Kraka, Dieter CremerThe Journal of Chemical Physics|July 23, 2004
The impact of the self-interaction error on the density functional theory description of dissociating radical cations: ionic and covalent dissociation limitsJürgen Gräfenstein, Elfi Kraka, Dieter CremerJournal of the American Chemical Society|June 30, 2005
Docking, triggering, and biological activity of dynemicin A in DNA: a computational studyTell Tuttle, Elfi Kraka, Dieter CremerPhysical Chemistry Chemical Physics : PCCP|November 26, 2016
The intrinsic strength of the halogen bond: electrostatic and covalent contributions described by coupled cluster theoryVytor Oliveira, Elfi Kraka, Dieter CremerJournal of Computational Chemistry|October 31, 2015
Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bondElfi Kraka, Dani Setiawan, Dieter CremerPageof 18