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Displaying 1 - 30 of 108 results.

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    • Journal article
    TD-DFT investigation of the UV spectra of pyranone derivatives
    Preat, Julien Jacquemin, Denis Wathelet, Valérie André, Jean-Marie Perpète, Eric (2006) Journal of Physical Chemistry A — vol. 110, p. 8144-8150 (1999)
    • Journal article
    Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives
    Preat, Julien Michaux, Catherine Jacquemin, Denis Perpète, Eric (2009) Journal of physical chemistry. C — vol. 113, p. 16821-16833 (2004)
    • Journal article
    A Quantitative Prediction of the Electronic Spectra of Thiocarbonyl Chromophores: TD-DFT versus SAC-CI
    Preat, Julien Jacquemin, Denis Vercauteren, Daniel Perpète, Eric (2008) Theoretical Chemistry Accounts: Theory, Computation, and Modeling — vol. 119, p. 463-468 (2006)
    • Journal article
    Theoretical study of the longitudinal first hyperpolarizability of polysilaacetylene
    Jacquemin, Denis Perpète, Eric André, Jean-Marie (2004) Journal of chemical physics — vol. 120, no. 21, p. 10317-10327 (2004)
    • Journal article
    NLO responses of small polymethineimine oligomers: a CCSD(T) study
    Medved, Miroslav Noga, Jozef Jacquemin, Denis Assfeld, Xavier Perpète, Eric (2007) Journal of molecular structure: Teochem — vol. 821, p. 160-165 (2006)
    • Journal article
    Hemi-indigo photochroms: a theoretical investigation
    Laurent, Adèle André, Jean-Marie Perpète, Eric Jacquemin, Denis (2007) Chemical Physics Letters — vol. 436, no. 1-3, p. 84-88 (2005)
    • Journal article
    An ab initio scheme for quantitative predictions of the visible spectra of diarylethenes
    Perpète, Eric Jacquemin, Denis (2007) Journal of photochemistry and photobiology. A: Chemistry — vol. 187, no. 1, p. 40-44 (2005)
    • Journal article
    First hyperpolarizability of polyaminoborane and polyiminoborane oligomers
    Jacquemin, Denis (2004) Journal of Physical Chemistry A — vol. 108, p. 9260-9266 (2003)
    • Journal article
    Extensive TD-DFT benchmark: Singlet-excited states of organic molecules
    Jacquemin, Denis Wathelet, Valérie Perpete, Eric Adamo, Carlo (2009) Journal of Chemical Theory and Computation — vol. 5, no. 9, p. 2420-2435 (2014)

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