Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Inizan TJ"'
Autor:
Wang Y; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Inizan TJ; Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS, Paris 75005, France., Liu C; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Piquemal JP; Sorbonne Université, Laboratoire de Chimie Théorique, UMR 7616 CNRS, Paris 75005, France., Ren P; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2024 Mar 14; Vol. 128 (10), pp. 2381-2388. Date of Electronic Publication: 2024 Mar 06.
Autor:
Plé T; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Mauger N; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Adjoua O; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Inizan TJ; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Lagardère L; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Huppert S; Institut des Nanosciences de Paris (INSP), CNRS UMR 7588, and Sorbonne Université, F-75005 Paris, France., Piquemal JP; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France.; Institut Universitaire de France, 75005 Paris, France.; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Mar 14; Vol. 19 (5), pp. 1432-1445. Date of Electronic Publication: 2023 Mar 01.
Autor:
Gallarati S; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland., Fabregat R; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland., Juraskova V; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland., Inizan TJ; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland., Corminboeuf C; Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland.; National Center for Competence in Research─Catalysis (NCCR-Catalysis), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland.; National Center for Computational Design and Discovery of Novel Materials (MARVEL), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland.
Publikováno v:
The Journal of organic chemistry [J Org Chem] 2022 Jul 15; Vol. 87 (14), pp. 8849-8857. Date of Electronic Publication: 2022 Jun 28.
Autor:
Célerse F; LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75005, France.; IPCM, UMR 8232 CNRS, Sorbonne Université, Paris 75005, France., Inizan TJ; LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75005, France., Lagardère L; LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75005, France.; IP2CT, FR 2622 CNRS, Sorbonne Université, Paris 75005, France., Adjoua O; LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75005, France., Monmarché P; LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75005, France.; LJLL, UMR 7598 CNRS, Sorbonne Université, Paris 75005, France., Miao Y; Center for Computational Biology and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66045, United States., Derat E; IPCM, UMR 8232 CNRS, Sorbonne Université, Paris 75005, France., Piquemal JP; LCT, UMR 7616 CNRS, Sorbonne Université, Paris 75005, France.; The University of Texas at Austin, Department of Biomedical Engineering, Austin, Texas 78705, United States.; Institut Universitaire de France, Paris 75005, France.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2022 Feb 08; Vol. 18 (2), pp. 968-977. Date of Electronic Publication: 2022 Jan 26.
Autor:
El Ahdab D; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France.; Université Saint-Joseph de Beyrouth, UR EGP, Centre d'Analyses et de Recherche, Faculté des Sciences, 1104 2020 Beirut, Lebanon., Lagardère L; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France.; Sorbonne Université, IP2CT, FR 2622 CNRS, 75005 Paris, France., Inizan TJ; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France., Célerse F; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France.; Sorbonne Université, IPCM, UMR 8232 CNRS, 75005 Paris, France., Liu C; Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas 78712, United States., Adjoua O; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France., Jolly LH; Sorbonne Université, IP2CT, FR 2622 CNRS, 75005 Paris, France., Gresh N; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France., Hobaika Z; Université Saint-Joseph de Beyrouth, UR EGP, Centre d'Analyses et de Recherche, Faculté des Sciences, 1104 2020 Beirut, Lebanon., Ren P; Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas 78712, United States., Maroun RG; Université Saint-Joseph de Beyrouth, UR EGP, Centre d'Analyses et de Recherche, Faculté des Sciences, 1104 2020 Beirut, Lebanon., Piquemal JP; Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France.; Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas 78712, United States.; Institut Universitaire de France, 75005 Paris, France.
Publikováno v:
The journal of physical chemistry letters [J Phys Chem Lett] 2021 Jul 08; Vol. 12 (26), pp. 6218-6226. Date of Electronic Publication: 2021 Jul 01.
Autor:
Adjoua O; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Lagardère L; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France.; Sorbonne Université, IP2CT, FR2622 CNRS, F-75005 Paris, France., Jolly LH; Sorbonne Université, IP2CT, FR2622 CNRS, F-75005 Paris, France., Durocher A; Eolen, 37-39 Rue Boissière, 75116 Paris, France., Very T; IDRIS, CNRS, 91403 Orsay, France., Dupays I; IDRIS, CNRS, 91403 Orsay, France., Wang Z; Department of Chemistry, Washington University in Saint Louis, Saint Louis, Missouri 63110, United States., Inizan TJ; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France., Célerse F; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France.; Sorbonne Université, CNRS, IPCM, F-75005 Paris, France., Ren P; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Ponder JW; Department of Chemistry, Washington University in Saint Louis, Saint Louis, Missouri 63110, United States., Piquemal JP; Sorbonne Université, LCT, UMR 7616 CNRS, F-75005 Paris, France.; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2021 Apr 13; Vol. 17 (4), pp. 2034-2053. Date of Electronic Publication: 2021 Mar 23.
Autor:
Adjoua O, Lagardère L, Jolly LH, Durocher A, Very T, Dupays I, Wang Z, Inizan TJ, Célerse F, Ren P, Ponder JW, Piquemal JP
Publikováno v:
ArXiv [ArXiv] 2021 Mar 03. Date of Electronic Publication: 2021 Mar 03.