Nonlinear optical properties of the rhombic B4-cluster. - Heribert Reis; Manthos G. Papadopoulos (J. Comput. Chem., 1999)

Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+. - Heribert Reis; Oleksandr Loboda; Aggelos Avramopoulos; Manthos G. Papadopoulos; Bernard Kirtman; Josep M. Luis; Robert Zalesny (J. Comput. Chem., 2011)

Computational Studies of Darunavir into HIV-1 Protease and DMPC Bilayer: Necessary Conditions for Effective Binding and the Role of the Flaps. - Georgios Leonis; Zaneta Czyznikowska; Grigorios Megariotis; Heribert Reis; Manthos G. Papadopoulos (J. Chem. Inf. Model., 2012)

On the Vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF. - Aggelos Avramopoulos; Heribert Reis; Josep M. Luis; Manthos G. Papadopoulos (J. Comput. Chem., 2013)

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. - Ireneusz W. Bulik; Robert Zalesny; Wojciech Bartkowiak; Josep M. Luis; Bernard Kirtman; Gustavo E. Scuseria; Aggelos Avramopoulos; Heribert Reis; Manthos G. Papadopoulos (J. Comput. Chem., 2013)

Dipole and quadrupole polarizabilities of the water molecule as a function of geometry. - Oleksandr Loboda; Francesca Ingrosso; Manuel F. Ruiz-López; Heribert Reis; Claude Millot (J. Comput. Chem., 2016)