Pouchan C - Search Results

1

New theoretical and experimental infrared results on formaldehyde in solution.

Begue D, Elissalde S, Pere E, Iratcabal P, Pouchan C. Begue D, et al. Among authors: pouchan c. J Phys Chem A. 2006 Jun 29;110(25):7793-800. doi: 10.1021/jp061572u. J Phys Chem A. 2006. PMID: 16789764

2

Calculations of vibrational energy levels by using a hybrid ab initio and DFT quartic force field: application to acetonitrile.

Begue D, Carbonniere P, Pouchan C. Begue D, et al. Among authors: pouchan c. J Phys Chem A. 2005 May 26;109(20):4611-6. doi: 10.1021/jp0406114. J Phys Chem A. 2005. PMID: 16833799

3

Vibrational anharmonic calculations in solution: performance of various DFT approaches.

Begue D, Pouchan C. Begue D, et al. Among authors: pouchan c. J Comput Chem. 2007 Jun;28(8):1456-62. doi: 10.1002/jcc.20693. J Comput Chem. 2007. PMID: 17334984

4

Vibrational spectra of cyclopentadienylphosphine: infrared and theoretical studies from DFT anharmonic potentials.

Benidar A, Guillemin JC, Bégué D, Pouchan C. Benidar A, et al. Among authors: pouchan c. J Phys Chem A. 2007 Nov 1;111(43):10961-8. doi: 10.1021/jp074244i. Epub 2007 Oct 6. J Phys Chem A. 2007. PMID: 17918917

5

Theoretical and experimental study of low band gap polymers for organic solar cells.

Dkhissi A, Ouhib F, Chaalane A, Hiorns RC, Dagron-Lartigau C, Iratçabal P, Desbrieres J, Pouchan C. Dkhissi A, et al. Among authors: pouchan c. Phys Chem Chem Phys. 2012 Apr 28;14(16):5613-9. doi: 10.1039/c2cp40170c. Epub 2012 Mar 16. Phys Chem Chem Phys. 2012. PMID: 22426037

6

New parallel software (P_Anhar) for anharmonic vibrational calculations: application to (CH(3)Li)(2).

Gohaud N, Begue D, Darrigan C, Pouchan C. Gohaud N, et al. Among authors: pouchan c. J Comput Chem. 2005 May;26(7):743-54. doi: 10.1002/jcc.20204. J Comput Chem. 2005. PMID: 15786428

7

Between geometry, stability, and polarizability: density functional theory studies of silicon clusters Sin (n = 3-10).

Pouchan C, Bégué D, Zhang DY. Pouchan C, et al. J Chem Phys. 2004 Sep 8;121(10):4628-34. doi: 10.1063/1.1768166. J Chem Phys. 2004. PMID: 15332893

8

Gas-phase infrared spectra of three compounds of astrochemical interest: vinyl, allenyl, and propargyl isocyanides.

Benidar A, Bégué D, Richter F, Pouchan C, Lahcini M, Guillemin JC. Benidar A, et al. Among authors: pouchan c. Chemphyschem. 2015 Mar 16;16(4):848-54. doi: 10.1002/cphc.201402712. Epub 2014 Dec 30. Chemphyschem. 2015. PMID: 25557420

9

A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system: ethylene oxide.

Bégué D, Gohaud N, Pouchan C, Cassam-Chenaï P, Liévin J. Bégué D, et al. Among authors: pouchan c. J Chem Phys. 2007 Oct 28;127(16):164115. doi: 10.1063/1.2795711. J Chem Phys. 2007. PMID: 17979327

10

Ab initio finite field (hyper)polarizability computations on stoichiometric gallium arsenide clusters GanAsn (n=2-9).

Karamanis P, Bégué D, Pouchan C. Karamanis P, et al. Among authors: pouchan c. J Chem Phys. 2007 Sep 7;127(9):094706. doi: 10.1063/1.2768365. J Chem Phys. 2007. PMID: 17824758

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