All Stories

  1. stk: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery

    Article • The Journal of Chemical Physics, June 2021, American Institute of Physics

    Dr Kim E Jelfs, Dr Andrew Tarzia

  2. Predicting solvent effects on the structure of porous organic molecules

    Article • Chemical Communications, January 2015, Royal Society of Chemistry

    Dr Kim E Jelfs

  3. Separation of rare gases and chiral molecules by selective binding in porous organic cages

    Article • Nature Materials, July 2014, Springer Science + Business Media

    Dr Kim E Jelfs

  4. Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations

    Article • The Journal of Physical Chemistry C, June 2014, American Chemical Society (ACS)

    Dr Kim E Jelfs

  5. Acid- and Base-Stable Porous Organic Cages: Shape Persistence and pH Stability via Post-synthetic “Tying” of a Flexible Amine Cage

    Article • Journal of the American Chemical Society, May 2014, American Chemical Society (ACS)

    Dr Kim E Jelfs

  6. Controlling the Crystallization of Porous Organic Cages: Molecular Analogs of Isoreticular Frameworks Using Shape-Specific Directing Solvents

    Article • Journal of the American Chemical Society, January 2014, American Chemical Society (ACS)

    Professor Graeme Day, Edward Pyzer-Knapp, Dr Kim E Jelfs

  7. Predicting porous crystals

    Article • Chemical Science, January 2014, Royal Society of Chemistry

    Professor Graeme Day, Edward Pyzer-Knapp, Dr Kim E Jelfs

  8. Molecular Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids

    Article • Journal of the American Chemical Society, November 2013, American Chemical Society (ACS)

    Dr Kim E Jelfs

  9. Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods

    Article • Crystal Growth & Design, September 2013, American Chemical Society (ACS)

    Dr Kim E Jelfs

  10. Shedding Light on Structure–Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain

    Article • Macromolecules, September 2013, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Jia-Xing Jiang, Tom McDonald

  11. In silico Design of Supramolecules from Their Precursors: Odd–Even Effects in Cage-Forming Reactions

    Article • Journal of the American Chemical Society, June 2013, American Chemical Society (ACS)

    Professor Graeme Day, Edward Pyzer-Knapp, Dr Kim E Jelfs

  12. Molecular simulations to understand and to design porous organic molecules

    Article • Current Opinion in Solid State and Materials Science, February 2013, Elsevier

    Dr Kim E Jelfs

  13. Molecular shape sorting using molecular organic cages

    Article • Nature Chemistry, January 2013, Springer Science + Business Media

    Dr Kim E Jelfs

  14. High-pressure carbon dioxide uptake for porous organic cages: comparison of spectroscopic and manometric measurement techniques

    Article • Chemical Communications, January 2013, Royal Society of Chemistry

    Dr Kim E Jelfs, Professor Keith Mark Thomas

  15. Hydroxylation of silica nanoclusters (SiO2)M(H2O)N, M = 4, 8, 16, 24: stability and structural trends

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Dr Kim E Jelfs

  16. Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal–Organic Framework

    Article • Journal of the American Chemical Society, December 2012, American Chemical Society (ACS)

    Dr Kim E Jelfs

  17. Structure and energetics of hydroxylated silica clusters, (SiO2)M(H2O)N, M=8, 16 and N=1−4: A global optimisation study

    Article • Chemical Physics Letters, December 2012, Elsevier

    Dr Kim E Jelfs

  18. Bespoke Force Field for Simulating the Molecular Dynamics of Porous Organic Cages

    Article • The Journal of Physical Chemistry C, July 2012, American Chemical Society (ACS)

    Dr Kim E Jelfs

  19. Evidence for atomic mixingvia multiple intermediates during the dynamic interconversion of silicate oligomers in solution

    Article • Chemical Communications, January 2012, Royal Society of Chemistry

    Dr Kim E Jelfs

  20. Porous organic cage crystals: characterising the porous crystal surface

    Article • Chemical Communications, January 2012, Royal Society of Chemistry

    Dr Kim E Jelfs

  21. Porous Organic Cage Nanocrystals by Solution Mixing

    Article • Journal of the American Chemical Society, December 2011, American Chemical Society (ACS)

    Dr Kim E Jelfs

  22. Hierarchically Structure-Directing Effect of Multi-Ammonium Surfactants for the Generation of MFI Zeolite Nanosheets

    Article • Chemistry of Materials, November 2011, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Ben Slater

  23. Large Self-Assembled Chiral Organic Cages: Synthesis, Structure, and Shape Persistence

    Article • Angewandte Chemie, September 2011, Wiley

    Dr Kim E Jelfs

  24. Large Self-Assembled Chiral Organic Cages: Synthesis, Structure, and Shape Persistence

    Article • Angewandte Chemie International Edition, September 2011, Wiley

    Dr Kim E Jelfs

  25. A Soft Porous Organic Cage Crystal with Complex Gas Sorption Behavior

    Article • Chemistry - A European Journal, August 2011, Wiley

    Dr Kim E Jelfs

  26. Modular and predictable assembly of porous organic molecular crystals

    Article • Nature, June 2011, Springer Science + Business Media

    Professor Graeme Day, Dr Kim E Jelfs, Dr Ben Slater

  27. Conformer interconversion in a switchable porous organic cage

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Kim E Jelfs, Dr Ben Slater

  28. Cover Picture: On–Off Porosity Switching in a Molecular Organic Solid (Angew. Chem. Int. Ed. 3/2011)

    Article • Angewandte Chemie International Edition, December 2010, Wiley

    Professor Graeme Day, Dr Kim E Jelfs

  29. Titelbild: On-Off Porosity Switching in a Molecular Organic Solid (Angew. Chem. 3/2011)

    Article • Angewandte Chemie, December 2010, Wiley

    Dr Kim E Jelfs

  30. On–Off Porosity Switching in a Molecular Organic Solid

    Article • Angewandte Chemie, November 2010, Wiley

    Professor Graeme Day, Dr Kim E Jelfs

  31. On–Off Porosity Switching in a Molecular Organic Solid

    Article • Angewandte Chemie International Edition, November 2010, Wiley

    Professor Graeme Day, Dr Kim E Jelfs

  32. Unstitching the Nanoscopic Mystery of Zeolite Crystal Formation

    Article • Journal of the American Chemical Society, September 2010, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Ben Slater

  33. An extensive theoretical survey of low-density allotropy in silicon

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

    Dr Kim E Jelfs

  34. Spiral Growth on Nanoporous Silicoaluminophosphate STA-7 as Observed by Atomic Force Microscopy

    Article • Crystal Growth & Design, August 2009, American Chemical Society (ACS)

    Dr Kim E Jelfs, Dr Ben Slater

  35. The role of organic templates in controlling zeolite crystal morphology

    Article • January 2007, Elsevier

    Dr Kim E Jelfs, Dr Ben Slater