Møller-Plesset perturbation energies and distances for HeC20 extrapolated to the complete basis set limit. - António J. C. Varandas (J. Comput. Chem., 2009)

The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates. - Satrajit Adhikari; António J. C. Varandas (Comput. Phys. Commun., 2013)

Coupled-cluster reaction barriers of HO2+H2O+O3: An application of the coupled-cluster//Kohn-Sham density functional theory model chemistry. - Luís P. Viegas; António J. C. Varandas (J. Comput. Chem., 2014)

A general code for fitting global potential energy surfaces via CHIPR method: Triatomic molecules. - Carlos M. R. Rocha; António J. C. Varandas (Comput. Phys. Commun., 2020)

A general code for fitting global potential energy surfaces via CHIPR method: Direct-Fit Diatomic and tetratomic molecules. - Carlos M. R. Rocha; António J. C. Varandas (Comput. Phys. Commun., 2021)

Optimized infrared spectrum of ( H 2 O ) m : ( H C N ) n mixtures. - Darlene Pereira Freitas; F. N. N. Pansini; António J. C. Varandas (J. Comput. Chem., 2024)