| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 496 | 2014 |
| Chirality in bare and passivated gold nanoclusters IL Garzón, JA Reyes-Nava, JI Rodriguez-Hernandez, I Sigal, MR Beltrán, ... Physical Review B 66 (7), 073403, 2002 | 217 | 2002 |
| ADF2017 EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... SCM, Theoretical Chemistry, 2017 | 197 | 2017 |
| A high performance grid-based algorithm for computing QTAIM properties JI Rodríguez, RFW Bader, PW Ayers, C Michel, AW Götz, C Bo Chemical Physics Letters 472 (1-3), 149-152, 2009 | 180 | 2009 |
| Indices for predicting the quality of leaving groups PW Ayers, JSM Anderson, JI Rodriguez, Z Jawed Physical Chemistry Chemical Physics 7 (9), 1918-1925, 2005 | 162 | 2005 |
| How ambiguous is the local kinetic energy? JSM Anderson, PW Ayers, JI Rodriguez Hernandez The Journal of Physical Chemistry A 114 (33), 8884-8895, 2010 | 152 | 2010 |
| Chirality, defects, and disorder in gold clusters IL Garzón, MR Beltrán, G González, I Gutıerrez-González, K Michaelian, ... The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2003 | 142 | 2003 |
| An efficient method for computing the QTAIM topology of a scalar field: The electron density case JI Rodríguez Journal of computational chemistry 34 (8), 681-686, 2013 | 103 | 2013 |
| Theoretical Chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014 | 102 | 2014 |
| An efficient grid‐based scheme to compute QTAIM atomic properties without explicit calculation of zero‐flux surfaces JI Rodríguez, AM Köster, PW Ayers, A Santos‐Valle, A Vela, G Merino Journal of computational chemistry 30 (7), 1082-1092, 2009 | 82 | 2009 |
| Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies JI Rodríguez, PW Ayers, AW Götz, FL Castillo-Alvarado The Journal of chemical physics 131 (2), 2009 | 58 | 2009 |
| ADF2014. SCM. Theoretical Chemistry. Vrije Universiteit. Amsterdam EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, O Baseggio, D Bashford, ... The Netherlands, 2014 | 41 | 2014 |
| Numerical integration of exchange-correlation energies and potentials using transformed sparse grids JI Rodriguez, DC Thompson, PW Ayers, AM Köster The Journal of chemical physics 128 (22), 2008 | 39 | 2008 |
| Amsterdam Density Functional, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... URL http://www. scm. com. Accessed 3, 17, 2006 | 33 | 2006 |
| Amsterdam density functional, SCM, theoretical chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... Vrije Universiteit, Amsterdam, The Netherlands, URL http://www. scm. com …, 2013 | 31 | 2013 |
| SM, M EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... Swart, D. Swerhone, G. te Velde, V. Tognetti, P. Vernooijs, L. Versluis, L …, 2017 | 27 | 2017 |
| ADF2008. 01 EJ Baerends, J Autschbach, A Berces, FM Bickelhaupt, C Bo, ... SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands …, 2008 | 26 | 2008 |
| Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... Manuscript received: January 28, 2019 | 25 | 2019 |
| Structural and electronic properties of the P3HT–PCBM dimer: A theoretical Study I Gutiérrez-González, B Molina-Brito, AW Götz, FL Castillo-Alvarado, ... Chemical Physics Letters 612, 234-239, 2014 | 25 | 2014 |
| ADF2009. 01 EJ Baerends, J Autschbach, D Bashford, A Bérces, FM Bickelhaupt, C Bo, ... SCM, Theoretical Chemistry, VrijeUniversiteit, Amsterdam, The Netherlands, 2009 | 25 | 2009 |
