| Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems P Calaminici, F Janetzko, AM Köster, R Mejia-Olvera, B Zuniga-Gutierrez The journal of chemical physics 126 (4), 2007 | 312 | 2007 |
| DeMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012 | 197 | 2012 |
| DeMon2K, Version 3 AM Koster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ... The deMon Developers, Cinvestav: Mexico City, Mexico, 2011 | 124 | 2011 |
| A MinMax self-consistent-field approach for auxiliary density functional theory AM Köster, JM Del Campo, F Janetzko, B Zuniga-Gutierrez The Journal of chemical physics 130 (11), 2009 | 79 | 2009 |
| Auxiliary density functional theory: from molecules to nanostructures P Calaminici, A Alvarez-Ibarra, D Cruz-Olvera, VD Dominguez-Soria, ... Handbook of computational chemistry, 1, 2016 | 41 | 2016 |
| Wiley Interdiscip G Geudtner, P Calaminici, J Carmona-Espíndola, JM del Campo, ... Rev.: Comput. Mol. Sci 2, 548-555, 2012 | 35 | 2012 |
| deMon2k, Version 6, The deMon developers AM Köster, G Geudtner, A Alvarez-Ibarra, P Calaminici, ME Casida, ... Mexico City, 2011 | 28 | 2011 |
| NMR shielding tensors from auxiliary density functional theory B Zuniga-Gutierrez, G Geudtner, AM Köster The Journal of chemical physics 134 (12), 2011 | 26 | 2011 |
| Analytical GGA exchange–correlation kernel calculation in auxiliary density functional theory B Zuniga-Gutierrez, AM Köster Molecular Physics 114 (7-8), 1026-1035, 2016 | 19 | 2016 |
| Magnetizability tensors from auxiliary density functional theory B Zuniga-Gutierrez, G Geudtner, AM Köster The Journal of Chemical Physics 137 (9), 2012 | 15 | 2012 |
| deMon2k, Version 6, The deMon developers, Cinvestav, Mexico City (2018) A Köster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ... There is no corresponding record for this reference, 0 | 13 | |
| Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms O López-Estrada, B Zuniga-Gutierrez, E Selenius, S Malola, H Häkkinen Nature Communications 12 (1), 2477, 2021 | 10 | 2021 |
| Cubic aromaticity in ligand-stabilized doped Au superatoms O López-Estrada, E Selenius, B Zuniga-Gutierrez, S Malola, H Häkkinen The Journal of Chemical Physics 154 (20), 2021 | 8 | 2021 |
| Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory B Zuniga-Gutierrez, M Camacho-Gonzalez, A Bendana-Castillo, ... The Journal of Chemical Physics 143 (10), 2015 | 7 | 2015 |
| Efficient Calculation of the Rotational g Tensor from Auxiliary Density Functional Theory B Zuniga-Gutierrez, M Camacho-Gonzalez, P Simon-Bastida, ... The Journal of Physical Chemistry A 119 (9), 1469-1477, 2015 | 7 | 2015 |
| First principles computational biochemistry with deMon2k A Alvarez-Ibarra, P Calaminici, A Goursot, CZ Gómez-Castro, ... Frontiers in computational chemistry, 281-325, 2015 | 7 | 2015 |
| The deMon2k Users’ Guide, Version 5.0 AM Köster, G Geudtner, GU Gamboa, A Alvarez-Ibarra, P Calaminici, ... Cinvestav, Mexico-City, 2018 | 6 | 2018 |
| QM/MM with auxiliary DFT in deMon2k JD Samaniego-Rojas, LI Hernández-Segura, L López-Sosa, ... | 5 | 2021 |
| The deMon2k Users' Guide AM Koster, G Geudtner, P Calaminici, ME Casida, R Flores-Moreno, ... Version, 2011 | 5 | 2011 |
| G0W0 based on time-dependent auxiliary density perturbation theory J Villalobos-Castro, BA Zúñiga-Gutiérrez, R Flores-Moreno Theoretical Chemistry Accounts 140 (7), 82, 2021 | 4 | 2021 |
