Bromley ST - Search Results

1

Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silica.

Zwijnenburg MA, Illas F, Bromley ST. Zwijnenburg MA, et al. Among authors: bromley st. J Chem Phys. 2012 Oct 21;137(15):154313. doi: 10.1063/1.4758461. J Chem Phys. 2012. PMID: 23083171

2

Fully coordinated silica nanoclusters: (SiO2)N molecular rings.

Bromley ST, Zwijnenburg MA, Maschmeyer T. Bromley ST, et al. Phys Rev Lett. 2003 Jan 24;90(3):035502. doi: 10.1103/PhysRevLett.90.035502. Epub 2003 Jan 23. Phys Rev Lett. 2003. PMID: 12570502 Free article.

3

Energetics and structures of the initial stages of nucleation of (SiO(2))(N) species: possible routes to highly symmetrical tetrahedral clusters.

Bromley ST, Illas F. Bromley ST, et al. Phys Chem Chem Phys. 2007 Mar 7;9(9):1078-86. doi: 10.1039/b615455g. Epub 2006 Dec 7. Phys Chem Chem Phys. 2007. PMID: 17311150

4

Development of realistic models for Double Metal Cyanide catalyst active sites.

Wojdeł JC, Bromley ST, Illas F, Jansen JC. Wojdeł JC, et al. Among authors: bromley st. J Mol Model. 2007 Jul;13(6-7):751-6. doi: 10.1007/s00894-007-0218-3. Epub 2007 Jun 13. J Mol Model. 2007. PMID: 17564730 Free article.

5

Dependence of charge transfer reorganization energy on carrier localisation in organic molecular crystals.

Bromley ST, Illas F, Mas-Torrent M. Bromley ST, et al. Phys Chem Chem Phys. 2008 Jan 7;10(1):121-7. doi: 10.1039/b713688a. Epub 2007 Nov 13. Phys Chem Chem Phys. 2008. PMID: 18075690

6

Ultralow-density nanocage-based metal-oxide polymorphs.

Carrasco J, Illas F, Bromley ST. Carrasco J, et al. Among authors: bromley st. Phys Rev Lett. 2007 Dec 7;99(23):235502. doi: 10.1103/PhysRevLett.99.235502. Epub 2007 Dec 4. Phys Rev Lett. 2007. PMID: 18233380

7

On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: the case of Prussian Blue.

Wojdeł JC, Moreira Ide P, Bromley ST, Illas F. Wojdeł JC, et al. Among authors: bromley st. J Chem Phys. 2008 Jan 28;128(4):044713. doi: 10.1063/1.2824966. J Chem Phys. 2008. PMID: 18247987

8

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. Among authors: bromley st. J Chem Phys. 2008 Jul 7;129(1):014706. doi: 10.1063/1.2943147. J Chem Phys. 2008. PMID: 18624495

9

Density functional studies of model cerium oxide nanoparticles.

Loschen C, Migani A, Bromley ST, Illas F, Neyman KM. Loschen C, et al. Among authors: bromley st. Phys Chem Chem Phys. 2008 Oct 1;10(37):5730-8. doi: 10.1039/b805904g. Epub 2008 Aug 6. Phys Chem Chem Phys. 2008. PMID: 18956108

10

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. Among authors: bromley st. J Chem Phys. 2009 Jul 21;131(3):034705. doi: 10.1063/1.3155083. J Chem Phys. 2009. PMID: 19624219

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