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The Journal of Physical Chemistry. A|March 13, 2024
Theoretical Study on the Regioselectivity of Leapfrog B<sub>18</sub> and B<sub>30</sub> Boron Sheets in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity IndicesJules Tshishimbi Muya, Paul Geerlings
RSC Advances|May 11, 2022
Theoretical investigation on the ground state properties of the hexaamminecobalt(iii) and nitro-nitrito linkage isomerism in pentaamminecobalt(iii) <i>in vacuo</i>Jules Tshishimbi Muya, Hoeil Chung, Sang Uck Lee
ACS Applied Materials & Interfaces|October 17, 2019
Viologen-Bromide Dual-Redox Ionic Solid Complexes: Understanding Their Electrochemical Formation and Proton-Accompanied Redox ChemistrySemi Lee, Jules Tshishimbi Muya, Hoeil Chung, et al.
Journal of Molecular Modeling|June 9, 2026
Theoretical investigation on the mechanism of dihydrogen elimination in lithium batteryChristian Tshikala Mukeba, Mireille Kabuyi Bilonda, Jules Tshishimbi Muya
ACS Applied Materials & Interfaces|October 17, 2019
Unraveling V(V)-V(IV)-V(III)-V(II) Redox Electrochemistry in Highly Concentrated Mixed Acidic Media for a Vanadium Redox Flow Battery: Origin of the Parasitic Hydrogen Evolution ReactionJihye Lee, Jules Tshishimbi Muya, Hoeil Chung, et al.
The Journal of Physical Chemistry. A|March 1, 2011
Encapsulation of small base molecules and tetrahedral/cubane-like clusters of group V atoms in the boron buckyball: a density functional theory studyJules Tshishimbi Muya, Erwin Lijnen, Minh Tho Nguyen, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 25, 2013
The boron conundrum: which principles underlie the formation of large hollow boron cages?Jules Tshishimbi Muya, Erwin Lijnen, Minh Tho Nguyen, et al.
Physical Chemistry Chemical Physics : PCCP|March 23, 2011
The leapfrog principle for boron fullerenes: a theoretical study of structure and stability of B112Jules Tshishimbi Muya, G Gopakumar, Minh Tho Nguyen, et al.
The Journal of Physical Chemistry. A|April 2, 2015
Jahn-Teller distortion in polyoligomeric silsesquioxane (POSS) cationsJules Tshishimbi Muya, Arnout Ceulemans, Gopinadhanpillai Gopakumar, et al.
The Journal of Chemical Physics|May 4, 2021
A comparison of the chemical bonding and reactivity of Si<sub>8</sub>H<sub>8</sub>O<sub>12</sub> and Ge<sub>8</sub>H<sub>8</sub>O<sub>12</sub>: A theoretical studyJules Tshishimbi Muya, Kelling J Donald, Arnout Ceulemans, et al.
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