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 | 67 | 2016 |

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 | 32 | 2018 |

Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods P Bultinck, D Van Neck, G Acke, PW Ayers Physical Chemistry Chemical Physics 14 (7), 2408-2416, 2012 | 29 | 2012 |

Polyaddition synthesis using alkyne esters for the design of vinylogous urethane vitrimers Y Spiesschaert, J Danneels, N Van Herck, M Guerre, G Acke, J Winne, ... Macromolecules 54 (17), 7931-7942, 2021 | 27 | 2021 |

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 |

Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices H van Aggelen, B Verstichel, G Acke, M Degroote, P Bultinck, PW Ayers, ... Computational and Theoretical Chemistry 1003, 50-54, 2013 | 20 | 2013 |

Maximum probability domains for Hubbard models G Acke, S De Baerdemacker, PW Claeys, M Van Raemdonck, ... Molecular Physics 114 (7-8), 1392-1405, 2016 | 14 | 2016 |

GQCP: The Ghent quantum chemistry package L Lemmens, X De Vriendt, D Tolstykh, T Huysentruyt, P Bultinck, G Acke The Journal of Chemical Physics 155 (8), 2021 | 12 | 2021 |

Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism T Vermeyen, J Brence, R Van Echelpoel, R Aerts, G Acke, P Bultinck, ... Physical Chemistry Chemical Physics 23 (35), 19781-19789, 2021 | 9 | 2021 |

Quantifying Delocalization and Static Correlation Errors by Imposing (Spin) Population Redistributions through Constraints on Atomic Domains X De Vriendt, L Lemmens, S De Baerdemacker, P Bultinck, G Acke Journal of Chemical Theory and Computation 17 (11), 6808-6818, 2021 | 7 | 2021 |

Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators G Acke, S De Baerdemacker, A Martin Pendas, P Bultinck Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1456, 2020 | 6 | 2020 |

Uncovering Clar's aromatic‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions D Van Hende, L Lemmens, S De Baerdemacker, D Van Neck, P Bultinck, ... Journal of Computational Chemistry 43 (7), 457-464, 2022 | 5 | 2022 |

Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures X De Vriendt, D Van Hende, S De Baerdemacker, P Bultinck, G Acke The Journal of Chemical Physics 156 (24), 2022 | 4 | 2022 |

The influence of correlation on (de)localization indices from a valence bond perspective G Acke, P Bultinck Journal of Molecular Modeling 24 (10), 275, 2018 | 3 | 2018 |

Crosstalk between glucocorticoid and mineralocorticoid receptors boosts glucocorticoid-induced killing of multiple myeloma cells D Clarisse, S Prekovic, P Vlummens, E Staessens, K Van Wesemael, ... Cellular and Molecular Life Sciences 80 (9), 249, 2023 | 2 | 2023 |

Analyzing the behavior of spin phases in external magnetic fields by means of spin-constrained states L Lemmens, X De Vriendt, P Bultinck, G Acke Journal of Chemical Theory and Computation 18 (6), 3364-3376, 2022 | 2 | 2022 |

Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix G Acke, D Van Hende, X De Vriendt, P Bultinck Journal of Chemical Theory and Computation 19 (16), 5418-5426, 2023 | 1 | 2023 |

Capturing correlation in the spin frustrated H_{3}-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock statesX De Vriendt, J De Vos, S De Baerdemacker, P Bultinck, G Acke Molecular Physics 121 (9-10), e2134831, 2023 | 1 | 2023 |

Performance of DFT methods in momentum space: quantum similarity measures versus moments of momentum J Vandenbussche, G Acke, P Bultinck Journal of Chemical Theory and Computation 9 (9), 3908-3916, 2013 | 1 | 2013 |

Global interpretability and geometry of graph convolu-tional neural networks for chemistry in terms of chemical moieties A El-Samman, I Husain, M Huynh, S De Castro, B Morton, G Acke, ... | | 2023 |