| DeMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012 | 206 | 2012 |
| MSINDO parameterization for third‐row transition metals T Bredow, G Geudtner, K Jug Journal of Computational Chemistry 22 (8), 861-887, 2001 | 132 | 2001 |
| DeMon2K, Version 3 AM Koster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ... The deMon Developers, Cinvestav: Mexico City, Mexico, 2011 | 124 | 2011 |
| Development of the cyclic cluster approach for ionic systems T Bredow, G Geudtner, K Jug Journal of Computational Chemistry 22 (1), 89-101, 2001 | 104 | 2001 |
| MSINDO parameterization for third‐row main group elements K Jug, G Geudtner, T Homann Journal of Computational Chemistry 21 (11), 974-987, 2000 | 59 | 2000 |
| Parallelization of the deMon2k code G Geudtner, F Janetzko, AM Köster, A Vela, P Calaminici Journal of computational chemistry 27 (4), 483-490, 2006 | 55 | 2006 |
| First-principle calculations of large fullerenes P Calaminici, G Geudtner, AM Köster Journal of Chemical Theory and Computation 5 (1), 29-32, 2009 | 54 | 2009 |
| Embedding procedure for cluster calculations of ionic crystals T Bredow, G Geudtner, K Jug The Journal of chemical physics 105 (15), 6395-6400, 1996 | 54 | 1996 |
| Binding energies and bond distances of ion crystal clusters K Jug, G Geudtner Chemical physics letters 208 (5-6), 537-540, 1993 | 54 | 1993 |
| Theoretical investigations on adsorption at ion crystal surfaces K Jug, G Geudtner, T Bredow Journal of molecular catalysis 82 (2-3), 171-194, 1993 | 53 | 1993 |
| Treatment of hydrogen bonding in SINDO1 K Jug, G Geudtner Journal of computational chemistry 14 (6), 639-646, 1993 | 53 | 1993 |
| Molecular simulations with in-deMon2k QM/MM, a tutorial-review A de La Lande, A Alvarez-Ibarra, K Hasnaoui, F Cailliez, X Wu, T Mineva, ... Molecules 24 (9), 1653, 2019 | 51 | 2019 |
| The deMon developers AM Köster, P Calaminici, ME Casida, R Flores-Moreno, G Geudtner, ... Cinvestav: Mexico City, 2006 | 51 | 2006 |
| How important are temperature effects for cluster polarizabilities? GU Gamboa, P Calaminici, G Geudtner, AM Köster The Journal of Physical Chemistry A 112 (47), 11969-11971, 2008 | 46 | 2008 |
| 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 | 42 | 2016 |
| Quantum chemical study of water adsorption at the NaCl (100) surface K Jug, G Geudtner Surface science 371 (1), 95-99, 1997 | 42 | 1997 |
| Robust and efficient density fitting VD Domínguez-Soria, G Geudtner, JL Morales, P Calaminici, AM Köster The Journal of chemical physics 131 (12), 2009 | 40 | 2009 |
| Wiley Interdiscip G Geudtner, P Calaminici, J Carmona-Espíndola, JM del Campo, ... Rev.: Comput. Mol. Sci 2, 548-555, 2012 | 36 | 2012 |
| Static and dynamic polarizability of C540 fullerene P Calaminici, J Carmona‐Espindola, G Geudtner, AM Köster International Journal of Quantum Chemistry 112 (19), 3252-3255, 2012 | 34 | 2012 |
| Quantum chemical study of carbon monoxide adsorption at the MgO (100) surface K Jug, G Geudtner The Journal of chemical physics 105 (12), 5285-5289, 1996 | 34 | 1996 |
