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Pioneering chemical biology & medicinal chemistry through Open Access research...

Strathprints makes available scholarly Open Access content by researchers in the Department of Pure & Applied Chemistry, based within the Faculty of Science.

Research here spans a wide range of topics from analytical chemistry to materials science, and from biological chemistry to theoretical chemistry. The specific work in chemical biology and medicinal chemistry, as an example, encompasses pioneering techniques in synthesis, bioinformatics, nucleic acid chemistry, amino acid chemistry, heterocyclic chemistry, biophysical chemistry and NMR spectroscopy.

Explore the Open Access research of the Department of Pure & Applied Chemistry. Or explore all of Strathclyde's Open Access research...

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Jump to: 2019 | 2018 | 2017 | 2016 | 2014 | 2013 | 2012 | 2011 | 2010 | 2008 | 2007 | 2005 | 2004 | 2002
Number of items: 32.

2019

Brown, Mairi and Laitano, Francesca and Williams, Calum and Gibson, Bruce and Haw, Mark and Sefcik, Jan and Johnston, Karen (2019) "Curdling" of soymilk in coffee : a study of the phase behaviour of soymilk coffee mixtures. Food Hydrocolloids, 95. pp. 462-467.

Vesga, Maria J. and McKechnie, David and Mulheran, Paul A. and Johnston, Karen and Sefcik, Jan (2019) Conundrum of γ glycine nucleation revisited : to stir or not to stir? CrystEngComm (13). pp. 2234-2243. ISSN 1466-8033

2018

Gaca-Zając, Katarzyna Z. and Smith, Benjamin R. and Nordon, Alison and Fletcher, Ashleigh J. and Johnston, Karen and Sefcik, Jan (2018) Investigation of IR and Raman spectra of species present in formaldehyde-water-methanol systems. Vibrational Spectroscopy, 97. pp. 44-54. ISSN 0924-2031

Fortuna, Sara and Johnston, Karen (2018) Influence of molecule-surface and molecule-molecule interactions on two-dimensional patterns formed by functionalised aromatic molecules. Journal of Physical Chemistry C. ISSN 1932-7447

2017

Berg, Andrej and Peter, Christine and Johnston, Karen (2017) Evaluation and optimisation of interface force fields for water on gold surfaces. Journal of Chemical Theory and Computation. ISSN 1549-9618

2016

Pelizza, F. and Smith, B. and Johnston, K. (2016) A van der Waals density functional theory study of poly(vinylidene difluoride) crystalline phases. European Physical Journal - Special Topics, 225 (8). pp. 1733-1742. ISSN 1951-6355

Hannah, Stuart and Cardona, Javier and Lamprou, Dimitrios A. and Sutta, Pavol and Baran, Peter and Al Ruzaiqi, Afra and Johnston, Karen and Gleskova, Helena (2016) Interplay between vacuum-grown monolayers of alkyl phosphonic acids and the performance of organic transistors based on dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene. ACS Applied Materials and Interfaces, 8 (38). pp. 25405-25414. ISSN 1944-8244

Fortuna, Sara and Cheung, David and Johnston, Karen (2016) Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states : a lattice-model view. Journal of Chemical Physics, 144. ISSN 0021-9606

Johnston, Karen and Pekoz, Rengin and Donadio, Davide (2016) Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory. Surface Science, 644. pp. 113-121. ISSN 0039-6028

2014

Pekoz, Rengin and Johnston, Karen and Donadio, Davide (2014) Tuning the adsorption of aromatic molecules on platinum via halogenation. Journal of Physical Chemistry C, 118 (12). 6235–6241. ISSN 1932-7447

Johnston, Karen (2014) A van der Waals density functional study of the adsorption of ethanol on the α-alumina (0001) surface. Surface Science, 621. pp. 16-22. ISSN 0039-6028

Butt, H. J. and Duran, H. and Egger, W. and Faupel, F. and Harmandaris, V. and Harms, S. and Johnston, K. and Kremer, K. and Lin, F. Y. and Lue, L. and Ohrt, C. and Raetzke, K. and Ravelli, L. and Steffen, W. and Vianna, S. D. B. (2014) Interphase of a polymer at a solid interface. Macromolecules, 47 (23). pp. 8459-8465. ISSN 0024-9297

2013

Johnston, Karen and Harmandaris, Vagelis (2013) Hierarchical multiscale modeling of polymer-solid interfaces : atomistic to coarse-grained description, and structural and conformational properties of polystyrene-gold systems. Macromolecules, 46 (14). pp. 5741-5750. ISSN 0024-9297

Johnston, Karen and Harmandaris, Vagelis (2013) Hierarchical simulations of hybrid polymer-solid materials. Soft Matter, 9 (29). pp. 6696-6710. ISSN 1744-6848

2012

Pekoz, Rengin and Johnston, Karen and Donadio, Davide (2012) Adsorption of dichlorobenzene on Au and Pt stepped surfaces using van der Waals density functional theory. Journal of Physical Chemistry C, 116 (38). pp. 20409-20416. ISSN 1932-7447

Johnston, Karen and Herbers, Claudia R. and van der Vegt, Nico F. A. (2012) Development of classical molecule-surface interaction potentials based on density functional theory calculations : investigation of force field representability. Journal of Physical Chemistry C, 116 (37). pp. 19781-19788. ISSN 1932-7447

Johnston, Karen and Harmandaris, Vagelis (2012) Properties of short polystyrene chains confined between two gold surfaces through a combined density functional theory and classical molecular dynamics approach. Soft Matter, 8 (23). pp. 6320-6332. ISSN 1744-6848

2011

Johnston, Karen and Harmandaris, Vagelis (2011) Properties of benzene confined between two Au(111) surfaces using a combined density functional theory and classical molecular dynamics approach. Journal of Physical Chemistry C, 115 (30). pp. 14707-14717. ISSN 1932-7447

Herbers, Claudia R. and Johnston, Karen and van der Vegt, Nico F. A. (2011) Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics, 13 (22). pp. 10577-10583. ISSN 1463-9076

Johnston, Karen and Nieminen, Risto M. and Kremer, Kurt (2011) A hierarchical dualscale study of bisphenol-A-polycarbonate on a silicon surface : structure, dynamics and impurity diffusion. Soft Matter, 7 (14). pp. 6457-6466. ISSN 1744-6848

2010

Johnston, Karen and Gulans, Andris and Verho, Tuukka and Puska, Martti J. (2010) Adsorption structures of phenol on the Si(001)-(2X1) surface calculated using density functional theory. Physical Review B: Condensed Matter and Materials Physics, 81 (23). ISSN 1098-0121

Vehoff, Thorsten and Chung, Yeon Sook and Johnston, Karen and Troisi, Alessandro and Yoon, Do Y. and Andrienko, Denis (2010) Charge transport in self-assembled semiconducting organic layers : role of dynamic and static disorder. Journal of Physical Chemistry C, 114 (23). pp. 10592-10597. ISSN 1932-7447

2008

Oja, Riku and Johnston, Karen and Frantti, Johannes and Nieminen, Risto M. (2008) Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO(3) and PbTiO(3). Physical Review B: Condensed Matter and Materials Physics, 78 (9). ISSN 1098-0121

Johnston, Karen and Kleis, Jesper and Ludqvist, Bengt I. and Nieminen, Risto M. (2008) Erratum: Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory (vol 77, art no 121404, 2008). Physical Review B: Condensed Matter and Materials Physics, 77 (20). ISSN 1098-0121

Johnston, Karen and Kleis, Jesper and Lundqvist, Bengt I. and Nieminen, Risto M. (2008) Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory. Physical Review B: Condensed Matter and Materials Physics, 77 (12). ISSN 1098-0121

2007

Johnston, K. and Nieminen, R.M. (2007) Polymer adhesion : first-principles calculations of the adsorption of organic molecules onto Si surfaces. Physical Review B: Condensed Matter and Materials Physics, 76 (8). ISSN 1098-0121

Cooper, V.R. and Johnston, K. and Rabe, K.M. (2007) Polarization enhancement in short period superlattices via interfacial intermixing. Physical Review B: Condensed Matter and Materials Physics, 76 (2). ISSN 1098-0121

2005

Johnston, Karen and Huang, Xiangyang and Neaton, Jeffrey B. and Rabe, Karin M. (2005) First-principles study of symmetry lowering and polarization in BaTiO3/SrTiO3 superlattices with in-plane expansion. Physical Review B: Condensed Matter and Materials Physics, 71 (10). ISSN 1098-0121

Posadas, A. and Yau, J.-B. and Ahn, C. H. and Han, J. and Gariglio, S. and Johnston, Karen and Rabe, K. M. and Neaton, J. B. (2005) Epitaxial growth of multiferroic YMnO3 on GaN. Applied Physics Letters, 87. ISSN 0003-6951

Dawber, M. and Lichtensteiger, C. and Cantoni, M. and Veithen, M. and Ghosez, P. and Johnston, Karen and Rabe, K. M. and Triscone, J.-M. (2005) Unusual behaviour of the ferroelectric polarization in PbTiO3/SrTiO3 superlattices. Physical Review Letters, 95. ISSN 0031-9007

2004

Johnston, Karen and Castell, Martin R. and Paxton, Anthony T. and Finnis, Michael W. (2004) SrTiO3 (001) (2x1) reconstructions : first-principles calculations of surface energy and atomic structure compared with scanning tunnelling microscopy images. Physical Review B: Condensed Matter and Materials Physics, 70. ISSN 1098-0121

2002

Johnston, Karen and Finnis, M.W. (2002) Electrostatic and entropic interactions between parallel interfaces separated by a glassy film. Journal of the American Ceramic Society, 85 (10). pp. 2562-2568. ISSN 0002-7820

This list was generated on Sun May 26 22:25:14 2019 BST.