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Outputs (157)

Perylene diimide triple helix formation in the solid-state (2018)
Journal Article
Haddow, S. L., Ring, D. J., Bagha, H., Pearce, N., Nowell, H., Blake, A. J., Lewis, W., McMaster, J., & Champness, N. R. (2018). Perylene diimide triple helix formation in the solid-state. Crystal Growth and Design, 18(2), https://doi.org/10.1021/acs.cgd.7b01268

The structural characterisation of single crystals of di-4-pyridyl-substituted 3,4,9,10-perylenetetracarboxylic diimide reveals a surprising triple helical arrangement. The intermolecular interactions that lead to such an arrangement are investigated... Read More about Perylene diimide triple helix formation in the solid-state.

Uniform magnetic fields in density-functional theory (2018)
Journal Article
Tellgren, E. I., Laestadius, A., Helgaker, T., Kvaal, S., & Teale, A. M. (2018). Uniform magnetic fields in density-functional theory. Journal of Chemical Physics, 148, Article 024101. https://doi.org/10.1063/1.5007300

We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional Density Functional Theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we term LDFT,... Read More about Uniform magnetic fields in density-functional theory.

Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes (2018)
Journal Article
Nolla-Saltiel, R., Geer, A. M., Lewis, W., Blake, A. J., & Kays, D. L. (2018). Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes. Chemical Communications, 54(15), https://doi.org/10.1039/c7cc08385h

Group 1 salts containing carbazolido NNN pincer ligands are precatalysts for the dehydrogenation of Me2NH·BH3. NMR monitoring and DOSY studies show a heavy dependence on the metal and solvent, allowing in some cases selective formation of dehydrogena... Read More about Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.

Transaminases for chiral amine synthesis (2018)
Journal Article
Gomm, A., & O'Reilly, E. (2018). Transaminases for chiral amine synthesis. Current Opinion in Chemical Biology, 43, https://doi.org/10.1016/j.cbpa.2017.12.007

Amine transaminases are important biocatalysts for the synthesis of chiral primary amines. Unlike many enzymes that have been employed for the synthesis of optically active amines, amine transaminases are capable of asymmetric synthesis and do not re... Read More about Transaminases for chiral amine synthesis.

Light-Induced Sonogashira C–C Coupling under Mild Conditions Using Supported Palladium Nanoparticles (2018)
Journal Article
Elhage, A., Lanterna, A. E., & Scaiano, J. C. (2018). Light-Induced Sonogashira C–C Coupling under Mild Conditions Using Supported Palladium Nanoparticles. ACS Sustainable Chemistry and Engineering, 6(2), 1717-1722. https://doi.org/10.1021/acssuschemeng.7b02992

The Sonogashira reaction can easily be photocatalyzed by supported palladium nanoparticles. Herein, we demonstrate that the direct excitation of PdNPs can catalyze the C–C coupling between different aryl iodides and acetylenes under very mild conditi... Read More about Light-Induced Sonogashira C–C Coupling under Mild Conditions Using Supported Palladium Nanoparticles.

Direct observation of vibrational energy dispersal: Via methyl torsions (2018)
Journal Article
Gardner, A. M., Tuttle, W. D., Whalley, L. E., & Wright, T. G. (2018). Direct observation of vibrational energy dispersal: Via methyl torsions. Chemical Science, 9(8), 2270-2283. https://doi.org/10.1039/c7sc05309f

© 2018 The Royal Society of Chemistry. Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S1 state of para-fluorotoluene (pFT... Read More about Direct observation of vibrational energy dispersal: Via methyl torsions.