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Sofie Van Damme
Sofie Van Damme
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Cited by
Cited by
Year
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
4462005
Analyzing toxicity through electrophilicity
DR Roy, U Sarkar, PK Chattaraj, A Mitra, J Padmanabhan, ...
Molecular diversity 10, 119-131, 2006
1392006
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
1302009
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
1022008
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
692002
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
672016
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
492010
A new computer program for QSAR‐analysis: ARTE‐QSAR
SV Damme, P Bultinck
Journal of Computational Chemistry 28 (11), 1924-1928, 2007
462007
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
442012
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
402006
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
362008
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
342013
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
322018
Solutions to the Quantum QSPR problem in molecular spaces
R Carbó-Dorca, S Van Damme
Theoretical Chemistry Accounts 118, 673-679, 2007
322007
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
312010
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
292007
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
272009
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
272008
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
261994
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
252019
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Articles 1–20