Frank De Proft

Publication Activity (10 Years)

Years Active: 2002-2023
Publications (10 Years): 5

Top Topics

Scales Linearly

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Paul Geerlings, Frank De Proft
External fields in conceptual density functional theory. J. Comput. Chem. 44 (3) (2023)
Jos L. Teunissen, Frank De Proft, Freija De Vleeschouwer
Acceleration of Inverse Molecular Design by Using Predictive Techniques. J. Chem. Inf. Model. 59 (6) (2019)
Freija De Vleeschouwer, Mats Denayer, Balázs Pintér, Paul Geerlings, Frank De Proft
Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysis. J. Comput. Chem. 39 (10) (2018)
Carlos Silva López, Olalla Nieto Faza, Frank De Proft, Antonios Kolocouris
contacts: A combined computational analysis in monosubstituted cyclohexanes. J. Comput. Chem. 37 (30) (2016)
Danny E. P. Vanpoucke, Julianna Oláh, Frank De Proft, Veronique Van Speybroeck, Goedele Roos
Convergence of Atomic Charges with the Size of the Enzymatic Environment. J. Chem. Inf. Model. 55 (3) (2015)
Frank De Proft, Ricardo Vivas-Reyes, Anik Peeters, Christian Van Alsenoy, Paul Geerlings
Hirshfeld partitioning of the electron density: Atomic dipoles and their relation with functional group properties. J. Comput. Chem. 24 (4) (2003)
Frank De Proft, Christian Van Alsenoy, Anik Peeters, Wilfried Langenaeker, Paul Geerlings
Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density. J. Comput. Chem. 23 (12) (2002)