Tomasz A. Wesołowski

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi et al. · Journal of Chemical Theory and Computation · 2019 · 1.1K citations · Full text

Software Maintenance, Engineering, Software Engineering +23

Frozen density functional approach for ab initio calculations of solvated molecules

Tomasz A. Wesołowski, Arieh Warshel · The Journal of Physical Chemistry · 1993 · 804 citations

Engineering, Chemical Analysis, Altmetric Attention Score +17

Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting molecules

Tomasz A. Wesołowski, Jacques Weber · Chemical Physics Letters · 1996 · 268 citations · Full text

Quantum Science, Electron Density, Constrained Electron Density +12

Comparative Study of Benzene···X (X = O₂, N₂, CO) Complexes Using Density Functional Theory:  The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients

Tomasz A. Wesołowski, Olivier Parisel, Y. Ellinger et al. · The Journal of Physical Chemistry A · 1997 · 237 citations

Materials Science, Engineering, Physics +14