Associate Professor Jo Lane
Acting Dean of Science
Qualifications: BSc(Hons) Otago, PhD Otago
- Atmospheric chemistry: Weakly-bound complexes, photodissociation mechanisms; gas-phase reaction kinetics; simulating vibrational and electronic spectra; nitrous oxide (N2O) chemistry; sulfur chemistry; aerosol formation.
- Non-covalent interactions: Theory development for quantifying the strength of non-covalent interactions; benchmark structures and interaction energies.
- Inorganic and materials chemistry: Gas separation using nanoporous materials e.g. metal organic framework (MOF) materials; crystal engineering; beryllium chemistry; structural characterisation; simulating NMR and IR spectra.
- Biological chemistry and bioactive molecules: Separation chemistry for medicinal cannabis products; mānuka honey chemistry; characterisation of marine bioactives; modified nucleobase base pairs (DNA/RNA).
My research group makes extensive use of the New Zealand eScience Infrastructure (NeSI) supercomputers. We use a broad range of computational chemistry programmes, including Q-Chem, MOLPRO, Gaussian, Newton-X, CFOUR, Orca, TURBOMOLE, CPMD, AMBER, CHARMM, NAMD, AutoDock Vina, GOLD. We have also developed our own software for characterizing non-covalent interactions, which is known as Bonder.
New Masters and PhD students are always welcome. Eligible students can apply for scholarships here.
Bobinihi, F. F., Onwudiwe, D. C., Ekennia, A. C., Okpareke, O. C., Arderne, C., & Lane, J. R. (2019). Group 10 metal complexes of dithiocarbamates derived from primary anilines: Synthesis, characterization, computational and antimicrobial studies. Polyhedron, 158, 296-310. doi:10.1016/j.poly.2018.10.073
Raymond, O., Brothers, P. J., Buchner, M. R., Lane, J. R., Müller, M., Spang, N., . . . Plieger, P. G. (2019). Electrospray ionization mass spectrometric study of the gas-phase coordination chemistry of Be2+ ions with 1,2- and 1,3-diketone ligands. Inorganic Chemistry, 11 pages. doi:10.1021/acs.inorgchem.9b00578
Okpareke, O. C., Henderson, W., Lane, J. R., & Okafor, S. N. (2019). Synthesis, structure, computational and molecular docking studies of asymmetrically di-substituted ureas containing carboxyl and phosphoryl hydrogen bond acceptor functional groups. Journal of Molecular Structure. doi:10.1016/j.molstruc.2019.127360
Kjaersgaard, A., Lane, J. R., & Kjaergaard, H. G. (2019). Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes. Journal of Physical Chemistry A, 123(39), 8427-8434. doi:10.1021/acs.jpca.9b06855
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Contact DetailsEmail: firstname.lastname@example.org
Phone: +64 7 837 9391