Gilles Frapper (G Frapper)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Venues

Physical chemistry chemical physics : PCCP

RSC advances

The journal of physical chemistry letters

Inorganic chemistry

Université de Poitiers

Université de Rennes 1 (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Université de Poitiers Sep 01 1997

France

professor :: IC2MP

NRC-SIMS Steacie institute for molecular sciences

Canada

associate researcher - post-doc :: theoretical chemistry

Georgetown University

United States

visiting researcher - VSNA :: Chemistry

Education History

Université de Rennes 1

France

PHD :: chemistry

Publications

Sylvain Pitié, Busheng Wang, Frédéric Guegan, Gilles Frapper
Predicted High-Energy Density MN 8 Containing Anionic 18-Crown-6 Ring-Based Polynitrogen Monolayers Acting as Cryptand. Inorganic chemistry (2024)
Heng Zhang, Frédéric Guegan, Junjie Wang, Gilles Frapper
Rational design of 2D Janus P 3 m 1 M 2 N 3 (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties. Physical chemistry chemical physics : PCCP 26 (20) (2024)
Sylvain Pitié, Busheng Wang, Frédéric Guegan, Gilles Frapper
Predicted High-Energy Density MN 8 Containing Anionic 18-Crown-6 Ring-Based Polynitrogen Monolayers Acting as Cryptand. Inorganic chemistry 63 (16) (2024)
Heng Zhang, Frédéric Guegan, Junjie Wang, Gilles Frapper
Rational design of 2D Janus P 3 m 1 M 2 N 3 (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties. Physical chemistry chemical physics : PCCP (2024)
Heng Zhang, Junjie Wang, Frédéric Guegan, Gilles Frapper
First-principles structure prediction of two-dimensional HCN polymorphs obtained via formal molecular polymerization. Nanoscale (2023)
Esmail Amaki, Zabiollah Mahdavifar, Gilles Frapper
Prediction of novel semi-conducting two-dimensional MX 2 phosphides and chalcogenides (M = Zn, Cd; X = P, S, Se) with 5-membered rings. Physical chemistry chemical physics : PCCP (2023)
Mohamed Yassine Doggui, Mohamed Oussama Zouaghi, Gilles Frapper, Frédéric Guegan, Youssef Arfaoui
Metallo-dithiaporphyrin pigments for bulk-heterojunction solar cell applications: ab initio investigation of structural and optoelectronic properties. RSC advances 13 (48) (2023)
Adrien Ratier, Richail D Moulandou-Koumba, Mélanie Anizan, Sarah Behloul, Fréderic Guegan, Gilles Frapper, Quentin Blancart Remaury, Karine De Oliveira Vigiera, Jianxia Zheng, François Jérôme
Catalytic synthesis of renewable phenol derivatives from biobased furanic derivatives. RSC advances 13 (43) (2023)
Busheng Wang, Katerina P Hilleke, Samad Hajinazar, Gilles Frapper, Eva Zurek
Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases. Journal of chemical theory and computation (2023)
Heng Zhang, Junjie Wang, Frédéric Guegan, Gilles Frapper
Prediction of Two-Dimensional Group IV Nitrides A x N y (A = Sn, Ge, or Si): Diverse Stoichiometric Ratios, Ferromagnetism, and Auxetic Mechanical Property. The journal of physical chemistry letters 13 (40) (2022)
Walid Lamine, Frédéric Guegan, François Jérôme, Gilles Frapper
Theoretical exploration of the reactivity of cellulose models under non-thermal plasma conditions-mechanistic and NBO studies. Journal of computational chemistry 43 (20) (2022)
Heng Zhang, Junjie Wang, Mohammad Khazaei, Frédéric Guegan, Gilles Frapper
Phase diagram exploration of Tc-Al-B: from bulk Tc2AlB2 to two-dimensional Tc2B2. Physical chemistry chemical physics : PCCP 23 (38) (2021)
R D Moulandou-Koumba, M Y Doggui, S N'Sikabaka, J-M Ouamba, Y Arfaoui, Gilles Frapper, Frédéric Guegan
Proposal of a Fermi-Dirac-Derived Reactivity Descriptor: Beyond the Frontier MO Model. The journal of physical chemistry. A 125 (36) (2021)
Heng Zhang, Junjie Wang, Frédéric Guegan, Shuyin Yu, Gilles Frapper
Prediction of allotropes of tellurium with molecular, one- and two-dimensional covalent nets for photofunctional applications. RSC advances 11 (48) (2021)
Shunsuke Sasaki, Maria Teresa Caldes, Catherine Guillot-Deudon, Isabelle Braems, Gwladys Steciuk, Lukáš Palatinus, Eric Gautron, Gilles Frapper, Etienne Janod, Benoît Corraze, Stéphane Jobic, Laurent Cario
Design of metastable oxychalcogenide phases by topochemical (de)intercalation of sulfur in La2O2S2. Nature communications 12 (1) (2021)
Fazel Shojaei, Maryam Azizi, Zabiollah Mahdavifar, Busheng Wang, Gilles Frapper
Copper halide diselenium: predicted two-dimensional materials with ultrahigh anisotropic carrier mobilities. RSC advances 10 (14) (2020)
Busheng Wang, Isabelle Braems, Shunsuke Sasaki, Frédéric Guegan, Laurent Cario, Stéphane Jobic, Gilles Frapper
Prediction of a New Layered Polymorph of FeS2 with Fe3+S2-(S22-)1/2 Structure. The journal of physical chemistry letters 11 (20) (2020)
Bowen Huang, Gilles Frapper
Pressure-Induced Polymerization of CO2 in Lithium-Carbon Dioxide Phases. Journal of the American Chemical Society 140 (1) (2017)

Gilles Frapper.css-eqlu8i{font-size:small;padding-left:4px;} (G Frapper)

Publication Activity (10 Years)

Top Topics

Top Venues

Gilles Frapper (G Frapper)