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Isomorphism between ice and silica.
Tribello GA, Slater B, Zwijnenburg MA, Bell RG. Tribello GA, et al. Phys Chem Chem Phys. 2010 Aug 14;12(30):8597-606. doi: 10.1039/b916367k. Epub 2010 Jul 14. Phys Chem Chem Phys. 2010. PMID: 20631955
Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods.
Zwijnenburg MA, Sousa C, Sokol AA, Bromley ST. Zwijnenburg MA, et al. J Chem Phys. 2008 Jul 7;129(1):014706. doi: 10.1063/1.2943147. J Chem Phys. 2008. PMID: 18624495
The effect of local environment on photoluminescence: a time-dependent density functional theory study of silanone groups on the surface of silica nanostructures.
Zwijnenburg MA, Sokol AA, Sousa C, Bromley ST. Zwijnenburg MA, et al. J Chem Phys. 2009 Jul 21;131(3):034705. doi: 10.1063/1.3155083. J Chem Phys. 2009. PMID: 19624219
An extensive theoretical survey of low-density allotropy in silicon.
Zwijnenburg MA, Jelfs KE, Bromley ST. Zwijnenburg MA, et al. Phys Chem Chem Phys. 2010 Aug 14;12(30):8505-12. doi: 10.1039/c004375c. Epub 2010 Jun 21. Phys Chem Chem Phys. 2010. PMID: 20567753
Excited state localisation cascades in inorganic semiconductor nanoparticles.
Zwijnenburg MA. Zwijnenburg MA. Phys Chem Chem Phys. 2013 Jul 14;15(26):11119-27. doi: 10.1039/c3cp50800e. Epub 2013 May 31. Phys Chem Chem Phys. 2013. PMID: 23722444
Coupled cluster calculations on TiO2 nanoclusters.
Berardo E, Hu HS, Kowalski K, Zwijnenburg MA. Berardo E, et al. J Chem Phys. 2013 Aug 14;139(6):064313. doi: 10.1063/1.4817536. J Chem Phys. 2013. PMID: 23947861
Optical excitation of MgO nanoparticles; a computational perspective.
Wobbe MC, Kerridge A, Zwijnenburg MA. Wobbe MC, et al. Phys Chem Chem Phys. 2014 Oct 28;16(40):22052-61. doi: 10.1039/c4cp03442b. Epub 2014 Sep 10. Phys Chem Chem Phys. 2014. PMID: 25207882
Contrasting the optical properties of the different isomers of oligophenylene.
Guiglion P, Zwijnenburg MA. Guiglion P, et al. Phys Chem Chem Phys. 2015 Jul 21;17(27):17854-63. doi: 10.1039/c5cp01916h. Phys Chem Chem Phys. 2015. PMID: 26089285
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