Frapper G - Search Results

1

Catalytic synthesis of renewable phenol derivatives from biobased furanic derivatives.

Ratier A, Moulandou-Koumba RD, Anizan M, Behloul S, Guegan F, Frapper G, Remaury QB, De Oliveira Vigier K, Zheng J, Jérôme F. Ratier A, et al. Among authors: frapper g. RSC Adv. 2023 Oct 16;13(43):30369-30377. doi: 10.1039/d3ra06461a. eCollection 2023 Oct 11. RSC Adv. 2023. PMID: 37849695 Free PMC article.

2

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study.

Yu S, Zeng Q, Oganov AR, Frapper G, Zhang L. Yu S, et al. Among authors: frapper g. Phys Chem Chem Phys. 2015 May 7;17(17):11763-9. doi: 10.1039/c5cp00156k. Phys Chem Chem Phys. 2015. PMID: 25869225

3

Modulation of lipid-induced ER stress by fatty acid shape.

Deguil J, Pineau L, Rowland Snyder EC, Dupont S, Beney L, Gil A, Frapper G, Ferreira T. Deguil J, et al. Among authors: frapper g. Traffic. 2011 Mar;12(3):349-62. doi: 10.1111/j.1600-0854.2010.01150.x. Epub 2011 Jan 7. Traffic. 2011. PMID: 21143717 Free article.

4

Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases.

Wang B, Hilleke KP, Hajinazar S, Frapper G, Zurek E. Wang B, et al. Among authors: frapper g. J Chem Theory Comput. 2023 Nov 14;19(21):7960-7971. doi: 10.1021/acs.jctc.3c00594. Epub 2023 Oct 19. J Chem Theory Comput. 2023. PMID: 37856841

5

Mechanisms of the Knoevenagel hetero Diels-Alder sequence in multicomponent reactions to dihydropyrans: experimental and theoretical investigations into the role of water.

Frapper G, Bachmann C, Gu Y, Coval De Sousa R, Jérôme F. Frapper G, et al. Phys Chem Chem Phys. 2011 Jan 14;13(2):628-36. doi: 10.1039/b927015a. Epub 2010 Nov 9. Phys Chem Chem Phys. 2011. PMID: 21063611

6

Prediction of a New Layered Polymorph of FeS₂ with Fe³⁺S^2-(S₂^2-)_1/2 Structure.

Wang B, Braems I, Sasaki S, Guégan F, Cario L, Jobic S, Frapper G. Wang B, et al. Among authors: frapper g. J Phys Chem Lett. 2020 Oct 15;11(20):8861-8866. doi: 10.1021/acs.jpclett.0c02543. Epub 2020 Oct 5. J Phys Chem Lett. 2020. PMID: 33016707

7

Proposal of a Fermi-Dirac-Derived Reactivity Descriptor: Beyond the Frontier MO Model.

Moulandou-Koumba RD, Doggui MY, N'Sikabaka S, Ouamba JM, Arfaoui Y, Frapper G, Guégan F. Moulandou-Koumba RD, et al. Among authors: frapper g. J Phys Chem A. 2021 Sep 16;125(36):8090-8097. doi: 10.1021/acs.jpca.1c04415. Epub 2021 Sep 2. J Phys Chem A. 2021. PMID: 34473520

8

Phase diagram exploration of Tc-Al-B: from bulk Tc₂AlB₂ to two-dimensional Tc₂B₂.

Zhang H, Wang J, Khazaei M, Guégan F, Frapper G. Zhang H, et al. Among authors: frapper g. Phys Chem Chem Phys. 2021 Oct 6;23(38):22086-22095. doi: 10.1039/d1cp02116h. Phys Chem Chem Phys. 2021. PMID: 34570852

9

Prediction of allotropes of tellurium with molecular, one- and two-dimensional covalent nets for photofunctional applications.

Zhang H, Wang J, Guégan F, Yu S, Frapper G. Zhang H, et al. Among authors: frapper g. RSC Adv. 2021 Sep 10;11(48):29965-29975. doi: 10.1039/d1ra04997f. eCollection 2021 Sep 6. RSC Adv. 2021. PMID: 35480238 Free PMC article.

10

Theoretical exploration of the reactivity of cellulose models under non-thermal plasma conditions-mechanistic and NBO studies.

Lamine W, Guégan F, Jérôme F, Frapper G. Lamine W, et al. Among authors: frapper g. J Comput Chem. 2022 Jul 30;43(20):1334-1341. doi: 10.1002/jcc.26934. Epub 2022 Jun 7. J Comput Chem. 2022. PMID: 35670154 Free PMC article.

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