| Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons P Bultinck, R Ponec, S Van Damme Journal of physical organic chemistry 18 (8), 706-718, 2005 | 490 | 2005 |
| Analyzing toxicity through electrophilicity DR Roy, U Sarkar, PK Chattaraj, A Mitra, J Padmanabhan, ... Molecular diversity 10, 119-131, 2006 | 147 | 2006 |
| Electrostatic potentials from self-consistent Hirshfeld atomic charges S Van Damme, P Bultinck, S Fias Journal of Chemical Theory and Computation 5 (2), 334-340, 2009 | 143 | 2009 |
| Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons S Fias, S Van Damme, P Bultinck Journal of computational chemistry 29 (3), 358-366, 2008 | 104 | 2008 |
| Can the current density map topology be extracted from the nucleus independent chemical shifts? S Van Damme, G Acke, RWA Havenith, P Bultinck Physical Chemistry Chemical Physics 18 (17), 11746-11755, 2016 | 75 | 2016 |
| The influence of PAX-14 on activated sludge systems and in particular on Microthrix parvicella T Roels, F Dauwe, S Van Damme, K De Wilde, F Roelandt Water Science and Technology 46 (1-2), 487-490, 2002 | 71 | 2002 |
| Multidimensionality of delocalization indices and nucleus‐independent chemical shifts in polycyclic aromatic hydrocarbons II: Proof of further nonlocality S Fias, S Van Damme, P Bultinck Journal of computational chemistry 31 (12), 2286-2293, 2010 | 49 | 2010 |
| A new computer program for QSAR‐analysis: ARTE‐QSAR SV Damme, P Bultinck Journal of computational chemistry 28 (11), 1924-1928, 2007 | 49 | 2007 |
| Molecular dynamics and umbrella sampling study of stabilizing factors in cyclic peptide-based nanotubes R Vijayaraj, S Van Damme, P Bultinck, V Subramanian The journal of physical chemistry b 116 (33), 9922-9933, 2012 | 44 | 2012 |
| Generalized Polansky Index as an aromaticity measure in polycyclic aromatic hydrocarbons P Bultinck, R Ponec, A Gallegos, S Fias, S Van Damme, R Carbó-Dorcaa Croatica chemica acta 79 (3), 363-371, 2006 | 40 | 2006 |
| Prediction of blood–brain partitioning: A model based on ab initio calculated quantum chemical descriptors S Van Damme, W Langenaeker, P Bultinck Journal of Molecular graphics and modelling 26 (8), 1223-1236, 2008 | 37 | 2008 |
| Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes R Vijayaraj, S Van Damme, P Bultinck, V Subramanian Physical Chemistry Chemical Physics 15 (4), 1260-1270, 2013 | 34 | 2013 |
| Interpreting the behavior of the by resolving in orbitals, sign, and positions G Acke, S Van Damme, RWA Havenith, P Bultinck Journal of Computational Chemistry 39 (9), 511-519, 2018 | 33 | 2018 |
| Solutions to the Quantum QSPR problem in molecular spaces R Carbó-Dorca, S Van Damme Theoretical Chemistry Accounts 118, 673-679, 2007 | 32 | 2007 |
| 3D QSAR based on conceptual DFT molecular fields: Antituberculotic activity S Van Damme, P Bultinck Journal of Molecular Structure: THEOCHEM 943 (1-3), 83-89, 2010 | 30 | 2010 |
| An atom counting and electrophilicity based QSTR approach PK Chattaraj, DR Roy, S Giri, S Mukherjee, V Subramanian, ... Journal of Chemical Sciences 119, 475-488, 2007 | 30 | 2007 |
| A new insight on the quantum quantitative structure‐properties relationships R Carbó‐Dorca, S Van Damme International Journal of Quantum Chemistry 108 (10), 1721-1734, 2008 | 28 | 2008 |
| QSAR analysis of salicylamide isosteres with the use of quantum chemical molecular descriptors R Doležal, S Van Damme, P Bultinck, K Waisser European journal of medicinal chemistry 44 (2), 869-876, 2009 | 26 | 2009 |
| A monoclonal antibody directed against a human cell membrane antigen prevents cell substrate adhesion and tumor invasion. CR De Potter, AM Schelfhout, FH De Smet, S Van Damme, L De Ridder, ... The American journal of pathology 144 (1), 95, 1994 | 26 | 1994 |
| Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density G Acke, S Van Damme, RWA Havenith, P Bultinck Physical Chemistry Chemical Physics 21 (6), 3145-3153, 2019 | 25 | 2019 |
