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Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density., , , , and . J. Comput. Chem., 23 (12): 1198-1209 (2002)How Thioredoxin Dissociates Its Mixed Disulfide., , , , , , and . PLoS Comput. Biol., (2009)External fields in conceptual density functional theory., and . J. Comput. Chem., 44 (3): 442-455 (January 2023)Automated determination of chemical functionalisation addition routes based on magnetic susceptibility and nucleus independent chemical shifts., , and . Comput. Phys. Commun., 179 (1-3): 165-170 (2008)Quantum chemical calculation of Henry constants of diatomic molecules in faujasite-type zeolites., , , and . J. Comput. Chem., 21 (11): 909-922 (2000)The hardness kernel as the basis for global and local reactivity indices., , , and . J. Comput. Chem., 29 (7): 1064-1072 (2008)Preface., and . Comput. Phys. Commun., (2008)Hirshfeld partitioning of the electron density: Atomic dipoles and their relation with functional group properties., , , , and . J. Comput. Chem., 24 (4): 463-470 (2003)Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysis., , , , and . J. Comput. Chem., 39 (10): 557-572 (2018)On the quality of the hardness kernel and the Fukui function to evaluate the global hardness., , , and . J. Comput. Chem., 28 (2): 574-583 (2007)