Pages

1. • Journal article

   The convergence of the direct lattice sums in the random phase approximation method applied to periodic infinite systems

   Champagne, Benoît Mosley, David H. André, Jean-Marie (1993) Chemical Physics Letters — vol. 210, no. 1-3, p. 232-242 (2008)
2. • Journal article

   Ab initio investigation of the vibrational hyper-Raman spectra of ethylene, ethane, and dimethyl ether

   Quinet, Olivier Champagne, Benoît (2004) Theoretical Chemistry Accounts — vol. 111, no. 2-6, p. 390-394 (2004)
3. • Journal article

   Substituent effects on the electronic structure and pKa benzoic acid

   Guillaume, Maxime Botek, Edith Champagne, Benoît Castet, Frédéric Ducasse, Laurent (2002) International journal of quantum chemistry — vol. 90, no. 4-5, p. 1396-1403 (2003)
4. • Journal article

   From uncoupled to coupled Hartree-Fock polarizabilities of infinite polymeric chains. Pariser-Parr-Pople applications to the polyacetylene chains

   Champagne, Benoît Fripiat, Joseph G. André, Jean-Marie (1992) The journal of chemical physics — vol. 96, no. 11, p. 8330-8337 (2008)
5. • Journal article

   Calculations of nonlinear optical properties for the solid state

   Champagne, Benoît Bishop, David M. (2003) Advances in Chemical Physics — vol. 126, p. 41-92 (2003)
6. • Journal article

   Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull π-conjugated systems

   Champagne, Benoît Perpète, Eric A. Jacquemin, Denis Van Gisbergen, Stan J A Baerends, Evert Jan Soubra-Ghaoui, Chirine Robins, Kathleen A. Kirtman, Bernard (2000) Journal of Physical Chemistry A — vol. 104, no. 20, p. 4755-4763 (2003)
7. • Journal article

   Bond length alternation effects on the static electronic polarizability and second hyperpolarizability of polyacetylene chains

   Champagne, Benoît Perpète, Eric A. (1999) International Journal of Quantum Chemistry — vol. 75, no. 4-5, p. 441-447 (2003)
8. • Journal article

   Correlated frequency-dependent electronic first hyperpolarizability of small push-pull conjugated chains

   Jacquemin, Denis Champagne, Benoît Hättig, Christof (2000) Chemical Physics Letters — vol. 319, no. 3-4, p. 327-334 (2003)
9. • Journal article

   Finite field treatment of vibrational polarizabilities and hyperpolarizabilities : On the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

   Luis, Josep M. Duran, Miquel Andrés, Jose L. Champagne, Benoît Kirtman, Bernard (1999) The journal of chemical physics — vol. 111, no. 3, p. 875-884 (2003)
10. • Journal article

    Analysis of the sign reversal of the second-order molecular polarizability in polymethineimine chains

    Jacquemin, Denis Beljonne, David Champagne, Benoît Geskin, Victor Brédas, Jean Luc André, Jean-Marie (2001) The journal of chemical physics — vol. 115, no. 14, p. 6766-6774 (2007)
11. • Journal article

    Orientational analysis of dodecanethiol and p-nitrothiophenol SAMs on metals with polarisation dependent SFG spectroscopy

    Cecchet, Francesca Lis, Dan Guthmuller, Julien Champagne, Benoît Caudano, Yves Silien, Christophe Mani, Alaa Addin Thiry, Paul A. Peremans, André (2010) ChemPhysChem — vol. 11, no. 3, p. 607-615 (2006)
12. • Journal article

    Second hyperpolarizabilities of polycyclic diphenalenyl radicals : Effects of para/ortho-quinoid structures and central ring modification

    Nakano, Masayoshi Nakagawa, Nozomi Ohta, Suguru Kishi, Ryohei Kubo, Takashi Kamada, Kenji Ohta, Koji Champagne, Benoît Botek, Edith Takahashi, Hideaki Furukawa, Shin ichi Morita, Yasushi Nakasuji, Kazuhiro Yamaguchi, Kizashi (2006) Chemical Physics Letters — vol. 429, no. 1-3, p. 174-179 (2007)
13. • Journal article

    QTAIM-Based Scheme for Describing the Linear and Nonlinear Optical Susceptibilities of Molecular Crystals Composed of Molecules with Complex Shapes

    Seidler, Tomasz Krawczuk, Anna Champagne, Benoît Stadnicka, Katarzyna (2016) Journal of Physical Chemistry C — vol. 120, no. 8, p. 4481-4494 (2015)
14. • Journal article

    Two-way molecular switches with large nonlinear optical contrast

    Mançois, Fabien Pozzo, Jean Luc Pan, Jianfeng Adamietz, Frédéric Rodriguez, Vincent Ducasse, Laurent Castet, Frédéric Plaquet, Aurélie Champagne, Benoît (2009) Chemistry: A European Journal — vol. 15, no. 11, p. 2560-2571 (2008)
15. • Journal article

    Modeling of structural, energetic, and dynamic properties of few-atom silver clusters embedded in polynucleotide strands by using molecular dynamics

    Staelens, Nicolas Leherte, Laurence Champagne, Benoît Vercauteren, Daniel P. (2015) ChemPhysChem — vol. 16, no. 2, p. 360-369 (2010)
16. • Journal article

    Modeling the electric field third-order nonlinear responses of an infinite aggregate of hexatriene chains using the electrostatic interaction model

    Guillaume, Maxime Champagne, Benoît (2005) Physical chemistry chemical physics — vol. 7, no. 18, p. 3284-3289 (2007)
17. • Journal article

    Erratum : Hyper-Rayleigh scattering of neutral and charged helicenes' (Chemical Physics Letters (2005) 412 (275) DOI: 10.1016/j.cplett.2005.06.121)

    Botek, Edith Spassova, Milena Champagne, Benoît Asselberghs, Inge Persoons, André Clays, Koen (2006) Chemical Physics Letters — vol. 417, no. 1-3, (2007)
18. • Journal article

    Density functional theory investigation of the alkylating strength of organoaluminum co-catalysts for ziegler-natta polymerization

    Champagne, Benoît Cavillot, Valérie André, Jean Marie François, Philippe Momtaz, Ardéchir (2006) International journal of quantum chemistry — vol. 106, no. 3, p. 588-598 (2007)
19. • Journal article

    Erratum : Analytical time-dependent Hartree-Fock schemes for the evaluation of the hyper-Raman intensities (J. Chem. Phys. (2002) 117 (2481))

    Quinet, Olivier Champagne, Benoît (2003) The journal of chemical physics — vol. 118, no. 12, (2007)
20. • Journal article

    Modelisation of the electric field linear response of an infinite aggregate of all-trans hexatriene chains by electrostatic interaction model

    Guillaume, Maxime Champagne, Benoît (2004) Structural chemistry — vol. 15, no. 5, p. 385-390 (1983)
21. • Journal article

    Möbius strip versus linear and cyclic polyacenes : A Hückel and semiempirical investigation

    Guillaume, Maxime Champagne, Benoît Perpète, Eric A. André, Jean-Marie (2001) Theoretical Chemistry Accounts — vol. 105, no. 6, p. 431-436 (2007)
22. • Speech

    Second hyperpolarizabilities (γ) of 1,3-dipole systems : Diradical character dependence of γ

    Nakano, Masayoshi Kishi, Ryohei Takebe, Akihito Nate, Masahito Takahashi, Hideaki Kubo, Takashi Kamada, Kenji Ohta, Koji Champagne, Benoît Botek, Edith (2007) International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 —
23. • Journal article

    Second hyperpolarizability of phenalenyl radical system involving acetylene π-conjugated bridge

    Ohta, Suguru Nakano, Masayoshi Kubo, Takashi Kamada, Kenji Ohta, Koji Kishi, Ryohei Nakagawa, Nozomi Champagne, Benoît Botek, Edith Umezaki, Shin Ya Takebe, Akihito Takahashi, Hideaki Furukawa, Shin Ichi Morita, Yasushi Nakasuji, Kazuhiro Yamaguchi, Kizashi (2006) Chemical Physics Letters — vol. 420, no. 4-6, p. 432-437 (2007)
24. • Speech

    Computing oscillator strengths and related properties

    Champagne, Benoît (2007) International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 —
25. • Journal article

    Third-Order Nonlinear Optical Properties of Asymmetric Non-Alternant Open-Shell Condensed-Ring Hydrocarbons : Effects of Diradical Character, Asymmetricity, and Exchange Interaction

    Nakano, Masayoshi Fukuda, Kotaro Champagne, Benoît (2016) Journal of Physical Chemistry C — vol. 120, no. 2, p. 1193-1207 (2016)
26. • Journal article

    Analytical time-dependent Hartree-Fock evaluation of the dynamic zero-point vibrationally averaged (ZPVA) first hyperpolarizability

    Quinet, Oliver Kirtman, Bernard Champagne, Benoît (2003) The journal of chemical physics — vol. 118, no. 2, p. 505-513 (2003)
27. • Journal article

    Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer

    Nakano, Masayoshi Takebe, Akihito Kishi, Ryohei Fukui, Hitoshi Minami, Takuya Kubota, Kazuki Takahashi, Hideaki Kubo, Takashi Kamada, Kenji Ohta, Koji Champagne, Benoît Botek, Edith (2008) Chemical Physics Letters — vol. 454, no. 1-3, p. 97-104 (2008)
28. • Journal article

    Analytic ab initio determination of the elastic modulus in stereoregular polymers : Analytical integral derivatives, long-range effects, implementation, and examples

    Jacquemin, Denis André, Jean-Marie Champagne, Benoît (2003) The journal of chemical physics — vol. 118, no. 1, p. 373-388 (2007)
29. • Journal article

    A joint theoretical-experimental investigation of the Faraday effect in benzene, toluene, and p-xylene

    Botek, Edith Champagne, Benoît Verbiest, Thierry Gangopadhyay, Palash Persoons, André (2006) ChemPhysChem — vol. 7, no. 8, p. 1654-1656 (1978)
30. • Journal article

    Second hyperpolarizabilities (γ) of bisimidazole and bistriazole benzenes : Diradical character, charged state, and spin state dependences

    Nakano, Masayoshi Kishi, Ryohei Nakagawa, Nozomi Ohta, Suguru Takahashi, Hideaki Furukawa, Shin Ichi Kamada, Kenji Ohta, Koji Champagne, Benoît Botek, Edith Yamada, Satoru Yamaguchi, Kizashi (2006) Journal of Physical Chemistry A — vol. 110, no. 12, p. 4238-4243 (2008)

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