Analytical first derivatives of molecular surfaces with respect to nuclear coordinates. - Maurizio Cossi; Benedetta Mennucci; Roberto Cammi (J. Comput. Chem., 1996)

Correction of cavity-induced errors in polarization charges of continuum solvation models. - Maurizio Cossi; Benedetta Mennucci; Jesús Pitarch; Jacopo Tomasi (J. Comput. Chem., 1998)

The calculation of excited-state polarizabilities of solvated molecules. - Kenneth Ruud; Benedetta Mennucci; Roberto Cammi; Luca Frediani (J. Comput. Methods Sci. Eng., 2004)

Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. - Carles Curutchet; Modesto Orozco; F. Javier Luque; Benedetta Mennucci; Jacopo Tomasi (J. Comput. Chem., 2006)

Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids. - Ingrid G. Prandi; Lucas Viani; Oliviero Andreussi; Benedetta Mennucci (J. Comput. Chem., 2016)

EXAT: EXcitonic analysis tool. - Sandro Jurinovich; Lorenzo Cupellini; Ciro A. Guido; Benedetta Mennucci (J. Comput. Chem., 2018)

Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems. - Takafumi Shiraogawa; Masahiro Ehara; Sandro Jurinovich; Lorenzo Cupellini; Benedetta Mennucci (J. Comput. Chem., 2018)

Electronic excited states from physically-constrained machine learning. - Edoardo Cignoni; Divya Suman; Jigyasa Nigam; Lorenzo Cupellini; Benedetta Mennucci; Michele Ceriotti (CoRR, 2023)

A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour. - Tommaso Nottoli; Mattia Bondanza; Filippo Lipparini; Benedetta Mennucci (J. Comput. Chem., 2025)