Frank De Proft

According to our database, Frank De Proft authored at least 7 papers between 2002 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

External fields in conceptual density functional theory.

Paul Geerlings, Frank De Proft

J. Comput. Chem., January, 2023

2019

Acceleration of Inverse Molecular Design by Using Predictive Techniques.

Jos L. Teunissen, Frank De Proft, Freija De Vleeschouwer

J. Chem. Inf. Model., 2019

2018

Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysis.

Freija De Vleeschouwer, Mats Denayer, Balázs Pintér, Paul Geerlings, Frank De Proft

J. Comput. Chem., 2018

2016

Assessing the attractive/repulsive force balance in axial cyclohexane C-H_ax···Y_ax contacts: A combined computational analysis in monosubstituted cyclohexanes.

Carlos Silva López, Olalla Nieto Faza, Frank De Proft, Antonios Kolocouris

J. Comput. Chem., 2016

2015

Convergence of Atomic Charges with the Size of the Enzymatic Environment.

Danny E. P. Vanpoucke, Julianna Oláh, Frank De Proft, Veronique Van Speybroeck, Goedele Roos

J. Chem. Inf. Model., 2015

2003

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

2002

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