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ORCIDClaude Pouchan
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2010 – 2019
- 2015
[j11]Nicolás Otero
, Christian Van Alsenoy, Claude Pouchan, Panaghiotis Karamanis:
Hirshfeld-based intrinsic polarizability density representations as a tool to analyze molecular polarizability. J. Comput. Chem. 36(24): 1831-1843 (2015)- 2014
- [j10]Panaghiotis Karamanis, Nicolás Otero, Claude Pouchan, Juan José Torres, William Tiznado, Aggelos Avramopoulos, Manthos G. Papadopoulos:
Significant nonlinear-optical switching capacity in atomic clusters built from silicon and lithium: A combined ab initio and density functional study. J. Comput. Chem. 35(11): 829-838 (2014) - 2012
- [j9]Emmanuel N. Koukaras, Aristides D. Zdetsis, Panaghiotis Karamanis, Claude Pouchan, Aggelos Avramopoulos, Manthos G. Papadopoulos:
Structural and static electric response properties of highly symmetric lithiated silicon cages: Theoretical predictions. J. Comput. Chem. 33(10): 1068-1079 (2012) - 2011
- [j8]Frédéric Labat, Claude Pouchan, Carlo Adamo, Gustavo E. Scuseria:
Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice. J. Comput. Chem. 32(10): 2177-2185 (2011)
2000 – 2009
- 2009
- [j7]Ahmed Dkhissi, Jean Marie Ducéré, Ralf Blossey, Claude Pouchan:
Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers? J. Comput. Chem. 30(8): 1179-1184 (2009) - 2007
- [j6]Didier Bégué, Claude Pouchan:
Vibrational anharmonic calculations in solution: Performance of various DFT approaches. J. Comput. Chem. 28(8): 1456-1462 (2007) - [j5]Benoît Champagne, Maxime Guillaume, Didier Bégué, Claude Pouchan:
Ab initio investigation on the nonlinear optical properties of silicon clusters Sin (n=3-8). J. Comput. Methods Sci. Eng. 7(3-4): 297-304 (2007) - 2006
- [j4]Didier Bégué, Claude Pouchan, George Maroulis, Daisy Y. Zhang:
The bonding structure and dipole polarizability of two near-isoenergetic isomers of Si3. J. Comput. Methods Sci. Eng. 6(1-4): 223-231 (2006) - 2005
- [j3]Philippe Carbonniere, Tecla Lucca, Claude Pouchan, Nadia Rega, Vincenzo Barone:
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules. J. Comput. Chem. 26(4): 384-388 (2005) - [j2]Neil Gohaud, Didier Bégué, Clovis Darrigan, Claude Pouchan:
New parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2. J. Comput. Chem. 26(7): 743-754 (2005) - 2001
- [j1]Didier Bégué, Claude Pouchan:
Density functional finite cluster method for polarizability of large BeN three-dimensional systems. J. Comput. Chem. 22(2): 230-240 (2001)
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