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C S Tautermann

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Journal of Chemical Theory and Computation|June 2, 2016
Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug DesignM J S Phipps, T Fox, C S Tautermann, et al.
Journal of Chemical Theory and Computation|March 1, 2017
Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand InteractionsM J S Phipps, T Fox, C S Tautermann, et al.
The Journal of Physical Chemistry. B|September 8, 2006
Predicting catalysis: understanding ammonia synthesis from first-principles calculationsA Hellman, E J Baerends, M Biczysko, et al.
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Showing results (1-10 of 3) with videos related to

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Pageof 1
Journal of Chemical Theory and Computation|June 2, 2016
Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug DesignM J S Phipps, T Fox, C S Tautermann, et al.
Journal of Chemical Theory and Computation|March 1, 2017
Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand InteractionsM J S Phipps, T Fox, C S Tautermann, et al.
The Journal of Physical Chemistry. B|September 8, 2006
Predicting catalysis: understanding ammonia synthesis from first-principles calculationsA Hellman, E J Baerends, M Biczysko, et al.
Pageof 1