Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Léa Rougier"'
Autor:
Takuya Minami, Léa Rougier, Kyohei Yoneda, Masayoshi Nakano, Yasuteru Shigeta, Benoît Champagne, Kenji Kamada, Koji Ohta, Shabbir Muhammad, Takashi Kubo, Ryohei Kishi
Publikováno v:
Nakano, M, Minami, T, Yoneda, K, Muhammad, S, Kishi, R, Shigeta, Y, Kubo, T, Rougier, L, Champagne, B, Kamada, K & Ohta, K 2011, ' Giant enhancement of the second hyperpolarizabilities of open-shell singlet polyaromatic diphenalenyl diradicaloids by an external electric field and donor-acceptor substitution ', Journal of Physical Chemistry Letters, vol. 2, no. 9, pp. 1094-1098 . https://doi.org/10.1021/jz200383a
Switching on an external electric field (F) along the electron correlation direction produces a giant enhancement of the second hyperpolarizability γ in a polyaromatic diradicaloid having intermediate diradical character. This has been evidenced by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f426b75884a739ec58f9c870d45f67a9
https://doi.org/10.1021/jz200383a
https://doi.org/10.1021/jz200383a
Publikováno v:
The journal of physical chemistry. A. 114(32):8474-8479
Ab initio calculations have been carried out to unravel the relationships between the structure and the first hyperpolarizability in flavylium derivatives, with the aim to design efficient second-order nonlinear optical (NLO) switching compounds. Lar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e3b8bd88b9ced4460f3090834789f0a
https://doi.org/10.1021/jp1056804
https://doi.org/10.1021/jp1056804
Autor:
Fabien Mançois, Aurélie Plaquet, Jean-Luc Pozzo, Benoît Champagne, Léa Rougier, Frédéric Castet, Vincent Rodriguez, Maxime Guillaume, Laurent Ducasse
Publikováno v:
The Journal of Physical Chemistry C. 112:5638-5645
This paper addresses the linear and second-order nonlinear optical properties of two anil derivatives and in particular their variations upon switching between the enol-imine and keto-amine forms. Quantum chemical evaluations of the first hyperpolari
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8d8e75e6016b1dc3b9aece07fd1785c
https://doi.org/10.1021/jp711511t
https://doi.org/10.1021/jp711511t
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2010, 12 (26), pp.6999. ⟨10.1039/b923883b⟩
Physical Chemistry Chemical Physics, 2010, 12 (26), pp.6999. ⟨10.1039/b923883b⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2010, 12 (26), pp.6999. ⟨10.1039/b923883b⟩
Physical Chemistry Chemical Physics, 2010, 12 (26), pp.6999. ⟨10.1039/b923883b⟩
Density Functional Theory (B3LYP/6-31G(d,p)) calculations of (15)N amide and (13)C carbonyl NMR chemical shielding tensors have been performed on WALP23trans-membrane alpha-helix peptide and compared to solid state NMR experiment performed on [(13)C(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ed8be73063a6d9782e2ec6313b27b7e
https://hal.archives-ouvertes.fr/hal-02322466
https://hal.archives-ouvertes.fr/hal-02322466
Autor:
Valérie Réat, Jerzy Czaplicki, J. Antoinette Killian, Alain Milon, Franck Jolibois, Olivier Saurel, Andrea Holt, Léa Rougier
Publikováno v:
Biophysical Journal
Biophysical Journal, Biophysical Society, 2010, 98 (9), pp.1864-1872. ⟨10.1016/j.bpj.2010.01.016⟩
Biophysical Journal, 2010, 98 (9), pp.1864-1872. ⟨10.1016/j.bpj.2010.01.016⟩
Biophysical Journal, Biophysical Society, 2010, 98 (9), pp.1864-1872. ⟨10.1016/j.bpj.2010.01.016⟩
Biophysical Journal, 2010, 98 (9), pp.1864-1872. ⟨10.1016/j.bpj.2010.01.016⟩
A new solid-state NMR-based strategy is established for the precise and efficient analysis of orientation and dynamics of transmembrane peptides in fluid bilayers. For this purpose, several dynamically averaged anisotropic constraints, including (13)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4128823f11349c87e30717bd50b9af9