All Stories

  1. Kinetic Analysis of Copper(I)/Feringa-Phosphoramidite Catalyzed AlEt3 1,4-Addition to Cyclohex-2-en-1-one

    Article • ACS Catalysis, September 2017, American Chemical Society (ACS)

    Dr David Robinson

  2. A Simple Approach to the Visible-Light Photoactivation of Molecular Metal Oxides

    Article • Inorganic Chemistry, August 2017, American Chemical Society (ACS)

    Dr David Robinson

  3. Back Cover: Orbital Engineering: Photoactivation of an Organofunctionalized Polyoxotungstate (Chem. Eur. J. 1/2017)

    Article • Chemistry - A European Journal, December 2016, Wiley

    Dr David Robinson

  4. Orbital Engineering: Photoactivation of an Organofunctionalized Polyoxotungstate

    Article • Chemistry - A European Journal, November 2016, Wiley

    Dr David Robinson

  5. Computing infrared spectra of proteins using the exciton model

    Article • Journal of Computational Chemistry, November 2016, Wiley

    Dr David Robinson

  6. A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules

    Article • Inorganic Chemistry, November 2016, American Chemical Society (ACS)

    Dr David Robinson

  7. A QM/MM study of the nature of the entatic state in plastocyanin

    Article • Journal of Computational Chemistry, November 2016, Wiley

    Dr David Robinson

  8. Modulation of the Turkey β1-Adrenergic Receptor by Membrane Rafts - Insight from Molecular Dynamics

    Article • ChemistrySelect, September 2016, Wiley

    Dr David Robinson

  9. Synthesis of Oxadiazol-5-imines via the Cyclizative Capture of in Situ Generated Cyanamide Ions and Nitrile Oxides

    Article • Organic Letters, February 2016, American Chemical Society (ACS)

    Dr David Robinson

  10. Effect of the substitution position (2, 3 or 8) on the spectroscopic and photophysical properties of BODIPY dyes with a phenyl, styryl or phenylethynyl group

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr David Robinson

  11. Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Dr David Robinson

  12. QM/MM Studies of Contemporary and Novel Membrane Raft Fluorescent Probes

    Article • Molecules, July 2014, MDPI AG

    Dr David Robinson

  13. Splitting multiple bonds: A comparison of methodologies on the accuracy of bond dissociation energies

    Article • Journal of Computational Chemistry, September 2013, Wiley

    Dr David Robinson

  14. A Polarizable Force-Field for Cholesterol and Sphingomyelin

    Article • Journal of Chemical Theory and Computation, April 2013, American Chemical Society (ACS)

    Dr David Robinson

  15. QM/MM Excited State Molecular Dynamics and Fluorescence Spectroscopy of BODIPY

    Article • The Journal of Physical Chemistry A, March 2013, American Chemical Society (ACS)

    Dr David Robinson

  16. Water order profiles on phospholipid/cholesterol membrane bilayer surfaces

    Article • Journal of Computational Chemistry, June 2011, Wiley

    Dr David Robinson

  17. Di-8-ANEPPS Emission Spectra in Phospholipid/Cholesterol Membranes: A Theoretical Study

    Article • The Journal of Physical Chemistry, April 2011, American Chemical Society (ACS)

    Dr David Robinson

  18. Theoretical simulation of the spectroscopy and dynamics of a red copper protein

    Article • Faraday Discussions, January 2011, Royal Society of Chemistry

    Dr David Robinson

  19. Modelling the spectroscopy and dynamics of plastocyanin

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Dr David Robinson

  20. Calculating the Fluorescence of 5-Hydroxytryptophan in Proteins

    Article • The Journal of Physical Chemistry, October 2009, American Chemical Society (ACS)

    Dr David Robinson

  21. Electronic Structure of 5-Hydroxyindole: From Gas Phase to Explicit Solvation

    Article • The Journal of Physical Chemistry, February 2009, American Chemical Society (ACS)

    Dr David Robinson

  22. High level ab initio and DFT calculations of models of the catalytically active Ni–Fe hydrogenases

    Article • Physical Chemistry Chemical Physics, January 2008, Royal Society of Chemistry

    Dr Mahesh Sundararajan, Dr David Robinson

  23. Simplified Reference Wave Functions for Multireference Perturbation Theory

    Article • The Journal of Physical Chemistry A, October 2007, American Chemical Society (ACS)

    Dr David Robinson

  24. CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree−Fock or Kohn−Sham Orbitals

    Article • Journal of Chemical Theory and Computation, July 2007, American Chemical Society (ACS)

    Dr David Robinson

  25. Multireference perturbation theory applied to multiconfigurational problems: is the CASSCF step necessary?

    Article • Molecular Physics, March 2006, Taylor & Francis

    Dr David Robinson