Ceulemans A - Search Results

1

Ring currents in boron and carbon buckyballs, B80 and C60.

Bean DE, Muya JT, Fowler PW, Nguyen MT, Ceulemans A. Bean DE, et al. Among authors: ceulemans a. Phys Chem Chem Phys. 2011 Dec 14;13(46):20855-62. doi: 10.1039/c1cp22521a. Epub 2011 Oct 17. Phys Chem Chem Phys. 2011. PMID: 22005663

2

Jahn-Teller instability in cationic boron and carbon buckyballs B80+ and C60+: a comparative study.

Muya JT, Ramanantoanina H, Daul C, Nguyen MT, Gopakumar G, Ceulemans A. Muya JT, et al. Among authors: ceulemans a. Phys Chem Chem Phys. 2013 Feb 28;15(8):2829-35. doi: 10.1039/c2cp43171h. Phys Chem Chem Phys. 2013. PMID: 23338939

3

Encapsulation of small base molecules and tetrahedral/cubane-like clusters of group V atoms in the boron buckyball: a density functional theory study.

Muya JT, Lijnen E, Nguyen MT, Ceulemans A. Muya JT, et al. Among authors: ceulemans a. J Phys Chem A. 2011 Mar 24;115(11):2268-80. doi: 10.1021/jp107630q. Epub 2011 Feb 25. J Phys Chem A. 2011. PMID: 21351787

4

The leapfrog principle for boron fullerenes: a theoretical study of structure and stability of B112.

Muya JT, Gopakumar G, Nguyen MT, Ceulemans A. Muya JT, et al. Among authors: ceulemans a. Phys Chem Chem Phys. 2011 Apr 28;13(16):7524-33. doi: 10.1039/c0cp02130j. Epub 2011 Mar 18. Phys Chem Chem Phys. 2011. PMID: 21423936

5

Theoretical study on the regioselectivity of the B80 buckyball in electrophilic and nucleophilic reactions using DFT-based reactivity indices.

Muya JT, De Proft F, Geerlings P, Nguyen MT, Ceulemans A. Muya JT, et al. Among authors: ceulemans a. J Phys Chem A. 2011 Aug 18;115(32):9069-80. doi: 10.1021/jp2050367. Epub 2011 Jul 27. J Phys Chem A. 2011. PMID: 21718058

6

The boron conundrum: which principles underlie the formation of large hollow boron cages?

Muya JT, Lijnen E, Nguyen MT, Ceulemans A. Muya JT, et al. Among authors: ceulemans a. Chemphyschem. 2013 Feb 4;14(2):346-63. doi: 10.1002/cphc.201200878. Epub 2013 Jan 23. Chemphyschem. 2013. PMID: 23345038

7

Particle on a boron disk: ring currents and disk aromaticity in B20(2-).

Tai TB, Havenith RW, Teunissen JL, Dok AR, Hallaert SD, Nguyen MT, Ceulemans A. Tai TB, et al. Among authors: ceulemans a. Inorg Chem. 2013 Sep 16;52(18):10595-600. doi: 10.1021/ic401596s. Epub 2013 Sep 6. Inorg Chem. 2013. PMID: 24011355

8

Quantum rules for planar boron nanoclusters.

Arvanitidis AG, Tai TB, Nguyen MT, Ceulemans A. Arvanitidis AG, et al. Among authors: ceulemans a. Phys Chem Chem Phys. 2014 Sep 14;16(34):18311-8. doi: 10.1039/c4cp02323d. Phys Chem Chem Phys. 2014. PMID: 25059906

9

Valence bonds in planar and quasi-planar boron disks.

Patouossa I , Arvanitidis AG , Tshishimbi Muya J , Nguyen MT , Ceulemans A . Patouossa I , et al. Among authors: ceulemans a. Phys Chem Chem Phys. 2019 Jan 2;21(2):729-735. doi: 10.1039/c8cp06749j. Phys Chem Chem Phys. 2019. PMID: 30543328

10

Formation of the quasi-planar B₅₀ boron cluster: topological path from B₁₀ and disk aromaticity.

Pham HT , Muya JT , Buendía F , Ceulemans A , Nguyen MT . Pham HT , et al. Among authors: ceulemans a. Phys Chem Chem Phys. 2019 Mar 27;21(13):7039-7044. doi: 10.1039/c9cp00735k. Phys Chem Chem Phys. 2019. PMID: 30874278

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