2, 5-Dimethoxy-1, 4-bis[2-(2, 4-dimethoxyphenyl) ethenyl]benzene studied by quantum chemical calculations and single crystal X-ray diffraction. - Guang Wu; Sven Jacobs; Albert T. H. Lenstra; Christian Van Alsenoy; Herman J. Geise (J. Comput. Chem., 1996)

Phenylene vinylene oligomers studied by theoretical methods: Joint analysis of computational and x-ray results of the configurational isomers of 1, 4-bis[2-(3, 4, 5-trimethoxyphenyl)ethenyl]benzene. - Guang Wu; Sven Jacobs; M. G. Verbruggen; Albert T. H. Lenstra; Christian Van Alsenoy; Herman J. Geise; Luc van Meervelt (J. Comput. Chem., 1996)

Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density. - Frank De Proft; Christian Van Alsenoy; Anik Peeters; Wilfried Langenaeker; Paul Geerlings (J. Comput. Chem., 2002)

Hirshfeld partitioning of the electron density: Atomic dipoles and their relation with functional group properties. - Frank De Proft; Ricardo Vivas-Reyes; Anik Peeters; Christian Van Alsenoy; Paul Geerlings (J. Comput. Chem., 2003)

Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity. - Patrick Bultinck; Ramon Carbó-Dorca; Christian Van Alsenoy (J. Chem. Inf. Comput. Sci., 2003)

Solids modeled by ab initio crystal field methods, part 22: The Fock matrix transformed supermolecule model and the structure determination of D-erythronic acid-3, 4-carbonate. - Joris van Droogenbroeck; Ben Swerts; Lothar Schäfer; Christian Van Alsenoy (J. Comput. Chem., 2004)

Conformational Analysis of TMC114, a Novel HIV-1 Protease Inhibitor. - Kanda Nivesanond; Anik Peeters; Dirk Lamoen; Christian Van Alsenoy (J. Chem. Inf. Model., 2008)

Hydrogen-hydrogen interaction in planar biphenyl: A theoretical study based on the interacting quantum atoms and Hirshfeld atomic energy partitioning methods. - Kiamars Eskandari; Christian Van Alsenoy (J. Comput. Chem., 2014)

Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability. - Nicolás Otero; Christian Van Alsenoy; Claude Pouchan; Panaghiotis Karamanis (J. Comput. Chem., 2015)