Simon J Coles

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The Evolution of Digital Chemistry at Southampton

Colin Bird, Simon J Coles, Jeremy G Frey, 2015, Molecular informatics.

Experiences with a researcher-centric ELN† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc02128b Click here for additional data file.

Erica Yang, Nicola Knight, Colin Bird, 2014, Chemical science.

Structural investigations of phosphorus-nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N3P3Cl(6 - n)(NHBu(t))n derivatives.

Simon J Coles, Michael B Hursthouse, R. Shaw, 2006, Acta crystallographica. Section B, Structural science.

Enhancement of the chemical semantic web through the use of InChI identifiers.

Henry S Rzepa, Peter Murray-Rust, Simon J Coles, 2005, Organic & biomolecular chemistry.

Fluoride-selective binding in a new deep cavity calix[4]pyrrole: experiment and theory.

Christopher J. Woods, Jonathan W Essex, Simon J Coles, 2002, Journal of the American Chemical Society.

Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib.

Simon J Coles, Michael B Hursthouse, L. Male, 2010, Acta crystallographica. Section C, Crystal structure communications.

Syntheses and properties of two-dimensional charged nonlinear optical chromophores incorporating redox-switchable cis-tetraammineruthenium(II) centers.

Kai Song, Simon J Coles, Koen Clays, 2005, Journal of the American Chemical Society.

A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine–phenylalanine motif

David Beljonne, Simon J Coles, Heinz Kalt, 2016, Nature Communications.

Structural investigations of phosphorus-nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-cis-oxytetra(ethyleneoxy)-4,6-R2-cyclotriphosphazatrienes (R = Cl, OCH2CF3, OPh, OMe, NHPh, NHBut) and substituent basicity constants.

Simon J Coles, Michael B Hursthouse, R. Shaw, 2002, Acta crystallographica. Section B, Structural science.

Systematic experimental charge density analysis of anion receptor complexes.

Simon J Coles, Philip A. Gale, Philip A Gale, 2014, Physical chemistry chemical physics : PCCP.

Contrasting linear and quadratic nonlinear optical behavior of dipolar pyridinium chromophores with 4-(dimethylamino)phenyl or ruthenium(II) ammine electron donor groups.

Simon J Coles, Jesús Orduna, Michael B Hursthouse, 2004, Journal of the American Chemical Society.