Claude Pouchan

11 papers Journal 11

Year	Rank	Type	Title / Venue / Authors
2015	J	`jnl`	Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability. J. Comput. Chem. Nicolás Otero, Christian Van Alsenoy, Claude Pouchan, Panaghiotis Karamanis
2014	J	`jnl`	Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined J. Comput. Chem. Panaghiotis Karamanis, Nicolás Otero, Claude Pouchan, Juan José Torres, William Tiznado, Aggelos Avramopoulos, Manthos G. Papadopoulos
2012	J	`jnl`	Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions. J. Comput. Chem. Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos, Manthos G. Papadopoulos
2011	J	`jnl`	Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice. J. Comput. Chem. Frédéric Labat, Claude Pouchan, Carlo Adamo, Gustavo E. Scuseria
2009	J	`jnl`	Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers? J. Comput. Chem. Ahmed Dkhissi, Jean Marie Ducéré, Ralf Blossey, Claude Pouchan
2007	J	`jnl`	Ab initio investigation on the nonlinear optical properties of silicon clusters Si J. Comput. Methods Sci. Eng. Benoît Champagne, Maxime Guillaume, Didier Bégué, Claude Pouchan
2007	J	`jnl`	Vibrational anharmonic calculations in solution: Performance of various DFT approaches. J. Comput. Chem. Didier Bégué, Claude Pouchan
2006	J	`jnl`	The bonding structure and dipole polarizability of two near-isoenergetic isomers of Si J. Comput. Methods Sci. Eng. Didier Bégué, Claude Pouchan, George Maroulis, Daisy Y. Zhang
2005	J	`jnl`	New parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2. J. Comput. Chem. Neil Gohaud, Didier Bégué, Clovis Darrigan, Claude Pouchan
2005	J	`jnl`	Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules. J. Comput. Chem. Philippe Carbonniere, Tecla Lucca, Claude Pouchan, Nadia Rega, Vincenzo Barone
2001	J	`jnl`	Density functional finite cluster method for polarizability of large BeN three-dimensional systems. J. Comput. Chem. Didier Bégué, Claude Pouchan