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Dust formation in the oxygen-rich AGB star IK Tauri

Astronomy and astrophysics (Berlin), 2016-01, Vol.585, p.A6

2016

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Exchange Coupling Inversion in a High-Spin Organic Triradical Molecule

Nano letters, 2016-03, Vol.16 (3), p.2066-2071

2016

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Challenges in modelling the reaction chemistry of interstellar dust

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (35), p.18623-18643

2014

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Thermodynamic Stability of Discrete Fully Coordinated SiO2 Spherical and Elongated Nanocages

Nano letters, 2004-08, Vol.4 (8), p.1427-1432

Bromley, S. T

2004

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A new interatomic potential for nanoscale silica

Chemical physics letters, 2003-09, Vol.378 (5), p.622-629

2003

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Assessing the viability of silicate nanoclusters as carriers of the anomalous microwave emission: a quantum mechanical study

Astronomy and astrophysics (Berlin), 2020-02, Vol.634, p.A77

2020

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Triarylmethyl-based 2D covalent networks: virtual screening of chemical functionalisation for optimising strain-induced property control

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (7), p.5028-5035

2018

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Molecular-dynamics analysis of the diffusion of molecular hydrogen in all-silica sodalite

The Journal of chemical physics, 2004-06, Vol.120 (21), p.10285-10289

2004

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Predicting the low energy landscape of nanoscale silica using interatomic potentials

Physica status solidi. A, Applications and materials science, 2006-05, Vol.203 (6), p.1319-1323

Bromley, S. T.

2006

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Dedicated Global Optimization Search for Ground State Silica Nanoclusters: (SiO2) N (N = 6−12)

The journal of physical chemistry. B, 2004-07, Vol.108 (28), p.9638-9645

2004

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Single-crystal organic field-effect transistors based on dibenzo-tetrathiafulvalene

Applied physics letters, 2005-01, Vol.86 (1)

2005

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Direct covalent grafting of an organic radical core on gold and silver

RSC advances, 2017, Vol.7 (33), p.20076-20083

2017

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Stable nanoporous alkali halide polymorphs : a first principles bottom-up study

Journal of materials chemistry, 2008-12, Vol.18 (48), p.5871-5879

2008

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

The Journal of chemical physics, 2012-10, Vol.137 (15), p.154313-154313

2012

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Self-diffusion of molecular hydrogen in clathrasils compared: dodecasil 3C versus sodalite

The Journal of chemical physics, 2005-05, Vol.122 (20), p.204710-204710

2005

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Dust in brown dwarfs and extra-solar planets

Astronomy and astrophysics (Berlin), 2015-03, Vol.575

2015

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Fully coordinated silica nanoclusters: (SiO2)N molecular rings

Physical review letters, 2003-01, Vol.90 (3), p.035502-035502, Article 035502

2003

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New insights into the structure of supported bimetallic nanocluster catalysts prepared from carbonylated precursors: a combined density functional theory and EXAFS study

Chemical physics letters, 2001-06, Vol.340 (5), p.524-530

2001

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Assignment of the complex vibrational spectra of the hydrogenated ZnO polar surfaces using QM/MM embedding

The Journal of chemical physics, 2003-01, Vol.118 (1), p.317-320

2003

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Two-ring vibrational modes on silica surfaces investigated via fully coordinated nanoclusters

Surface science, 2003-08, Vol.539 (1), p.L554-L559

2003

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One-dimensional embedded cluster approach to modeling CdS nanowires

The Journal of chemical physics, 2013-09, Vol.139 (12), p.124101-124101

2013

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Effect of cation distribution on self-diffusion of molecular hydrogen in Na3Al3Si3O12 sodalite: a molecular dynamics study

The Journal of chemical physics, 2004-11, Vol.121 (20), p.10209-10216

2004

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Study of the E–Z stilbene isomerisation in perchlorotriphenyl-methane (PTM) derivatives

RSC advances, 2017-01, Vol.7 (25), p.15278-15283

2017

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Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods

The Journal of chemical physics, 2008-07, Vol.129 (1), p.014706-014706

2008

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Triarylmethyl-based 2D covalent networks: virtual screening of chemical functionalisation for optimising strain-induced property controlElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp08076j

2018-02

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