All Stories

  1. The origin of the antiferromagnetic behaviour of the charge-transfer compound (HMTTF)[Ni(mnt)2]

    Article • Dalton Transactions, January 2015, Royal Society of Chemistry

    Dr Sergi Vela

  2. Towards an accurate and computationally-efficient modelling of Fe(ii)-based spin crossover materials

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Sergi Vela

  3. Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transition

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

    Dr Sergi Vela

  4. Insights into the crystal-packing effects on the spin crossover of [FeII(1-bpp)]2+-based materials

    Article • Physical Chemistry Chemical Physics, November 2014, Royal Society of Chemistry

    Dr Sergi Vela

  5. On the Importance of Thermal Effects and Crystalline Disorder in the Magnetism of Benzotriazinyl‐Derived Organic Radicals

    Article • Chemistry - An Asian Journal, October 2014, Wiley

    Dr Sergi Vela

  6. The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials

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

    Professor Juan J. Novoa, Dr Sergi Vela

  7. Elucidating the 2D Magnetic Topology of the ‘Metal–Radical’ TTTA⋅Cu(hfac)2 System

    Article • Chemistry - A European Journal, May 2014, Wiley

    Professor Juan J. Novoa, Dr Sergi Vela

  8. Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship

    Article • Inorganic Chemistry, March 2014, American Chemical Society (ACS)

    Dr Sergi Vela, Dr guillem aromi

  9. The polymorphism of a triarylphosphine oxide: a case of missing isomers

    Article • CrystEngComm, January 2014, Royal Society of Chemistry

    Professor Juan J. Novoa, Dr Sergi Vela

  10. A theoretical analysis of the magnetic properties of the low dimensional bis(2-chloropyrazine)dichlorocopper(II) molecule-based magnet

    Article • Polyhedron, November 2013, Elsevier

    Professor Juan J. Novoa, Dr Sergi Vela, Prof. Mark M. Turnbull

  11. Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2

    Article • Inorganic Chemistry, October 2013, American Chemical Society (ACS)

    Professor Juan J. Novoa, Dr Sergi Vela, Prof. Mark M. Turnbull

  12. Assigning the dimensionality in low-dimensional materials: A rigorous study of the dimensionality of (2,5-dimethylpyrazine)CuCl2

    Article • Polyhedron, March 2013, Elsevier

    Professor Juan J. Novoa, Dr Sergi Vela, Prof. Mark M. Turnbull

  13. A theoretical analysis of the magnetic properties of the low-dimensional copper(II)X2(2-X-3-methylpyridine)2 (X = Cl and Br) complexes

    Article • Theoretical Chemistry Accounts, February 2013, Springer Science + Business Media

    Professor Juan J. Novoa, Dr Sergi Vela, Prof. Mark M. Turnbull

  14. Tracing the Sources of the Different Magnetic Behavior in the Two Phases of the Bistable (BDTA)2[Co(mnt)2] Compound

    Article • Inorganic Chemistry, July 2012, American Chemical Society (ACS)

    Professor Juan J. Novoa, Dr Sergi Vela

  15. A theoretical analysis of the magnetic properties of the low-dimensional copper(II)X2(2-X-3-methylpyridine)2 (X = Cl and Br) complexes

    Article • February 2012, Springer Science + Business Media

    Professor Juan J. Novoa, Dr Sergi Vela

  16. A molecular dynamics simulation of methane adsorption in single walled carbon nanotube bundles

    Article • Carbon, November 2011, Elsevier

    Dr Sergi Vela