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The Journal of Chemical Physics|September 17, 2018
Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methodsJimmy C Kromann, Casper Steinmann, Jan H JensenPeerj|July 16, 2014
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+Jimmy C Kromann, Anders S Christensen, Casper Steinmann, et al.Peerj|September 8, 2016
Prediction of pKa values using the PM6 semiempirical methodJimmy C Kromann, Frej Larsen, Hadeel Moustafa, et al.Peerj|May 12, 2016
Towards a barrier height benchmark set for biologically relevant systemsJimmy C Kromann, Anders S Christensen, Qiang Cui, et al.ACS Omega|August 29, 2019
Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set MethodsJimmy C Kromann, Alexander Welford, Anders S Christensen, et al.Plos One|April 18, 2013
Mapping enzymatic catalysis using the effective fragment molecular orbital method: towards all ab initio biochemistryCasper Steinmann, Dmitri G Fedorov, Jan H JensenThe Journal of Physical Chemistry. A|May 8, 2010
Effective fragment molecular orbital method: a merger of the effective fragment potential and fragment molecular orbital methodsCasper Steinmann, Dmitri G Fedorov, Jan H JensenPlos One|July 31, 2012
The effective fragment molecular orbital method for fragments connected by covalent bondsCasper Steinmann, Dmitri G Fedorov, Jan H JensenThe Journal of Chemical Physics|November 4, 2017
Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methodsAnders S Christensen, Jimmy C Kromann, Jan H Jensen, et al.Chemical Science|April 10, 2018
Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactionsJimmy C Kromann, Jan H Jensen, Monika Kruszyk, et al.Pageof 11