Density functional finite cluster method for polarizability of large BeN three-dimensional systems. - Didier Bégué; Claude Pouchan (J. Comput. Chem., 2001)

Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules. - Philippe Carbonniere; Tecla Lucca; Claude Pouchan; Nadia Rega; Vincenzo Barone (J. Comput. Chem., 2005)

New parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2. - Neil Gohaud; Didier Bégué; Clovis Darrigan; Claude Pouchan (J. Comput. Chem., 2005)

The bonding structure and dipole polarizability of two near-isoenergetic isomers of Si3. - Didier Bégué; Claude Pouchan; George Maroulis; Daisy Y. Zhang (J. Comput. Methods Sci. Eng., 2006)

Vibrational anharmonic calculations in solution: Performance of various DFT approaches. - Didier Bégué; Claude Pouchan (J. Comput. Chem., 2007)

Ab initio investigation on the nonlinear optical properties of silicon clusters Sin (n=3-8). - Benoît Champagne 002; Maxime Guillaume; Didier Bégué; Claude Pouchan (J. Comput. Methods Sci. Eng., 2007)

Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers? - Ahmed Dkhissi; Jean Marie Ducéré; Ralf Blossey; Claude Pouchan (J. Comput. Chem., 2009)

Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice. - Frédéric Labat; Claude Pouchan; Carlo Adamo; Gustavo E. Scuseria (J. Comput. Chem., 2011)

Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions. - Emmanuel N. Koukaras; Aristides D. Zdetsis; Panaghiotis Karamanis; Claude Pouchan; Aggelos Avramopoulos; Manthos G. Papadopoulos (J. Comput. Chem., 2012)

Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study. - Panaghiotis Karamanis; Nicolás Otero; Claude Pouchan; Juan José Torres; William Tiznado; Aggelos Avramopoulos; Manthos G. Papadopoulos (J. Comput. Chem., 2014)

Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability. - Nicolás Otero; Christian Van Alsenoy; Claude Pouchan; Panaghiotis Karamanis (J. Comput. Chem., 2015)