Items where authors include "Legon, A.C."

Article

Hill, J.G. orcid.org/0000-0002-6457-5837 and Legon, A.C. (2022) Radial potential energy functions of linear halogen-bonded complexes YX…ClF, (YX = FB, OC, SC, N2) and the effects of substituting X by second-row analogues : Mulliken inner and outer complexes. Journal of Physical Chemistry A, 126 (16). pp. 2511-2521. ISSN 1089-5639

Alkorta, I., Hill, G. orcid.org/0000-0002-6457-5837 and Legon, A.C. (2020) An ab initio investigation of alkali-metal non-covalent bonds BLiR and BNaR (R = F, H or CH3) formed with simple Lewis bases B : the relative inductive effects of F, H and CH3. Physical Chemistry Chemical Physics, 22 (28). pp. 16421-16430. ISSN 1463-9076

Hill, J. orcid.org/0000-0002-6457-5837 and Legon, A.C. (2019) Nonbonding pairs in cyclic thioethers: Electrostatic modelling and ab initio calculations for complexes of 2,5-dihydrothiophene, thietane and thiirane with hydrogen fluoride. International Journal of Quantum Chemistry, 119 (10). e25885. ISSN 0020-7608

Hill, J. orcid.org/0000-0002-6457-5837 and Legon, A.C. (2017) Electrostatic potential and a simple extended electric dipole model of hydrogen fluoride as probes of non-bonding electron pairs in the cyclic ethers 2,5- dihydrofuran, oxetane and oxirane. Crystals, 7 (9). 261. ISSN 2073-4352

Shaw, R.A., Hill, J. orcid.org/0000-0002-6457-5837 and Legon, A.C. (2016) Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy. The Journal of Physical Chemistry A, 120 (42). pp. 8461-8468. ISSN 1089-5639

Nguyen, H.L., Horton, P.N., Hursthouse, M.B. et al. (2 more authors) (2003) Halogen bonding: A new interaction for liquid crystal formation. Journal of the American Chemical Society, 126 (1). pp. 16-17. ISSN 0002-7863