PhD, BSc(Hons) (Otago)Tel: 03 479 7928
Location: Science II, 5c3
Email: anna.garden@otago.ac.nz
The Garden research group is led by Associate Professor Anna Garden of the Department of Chemistry at the University of Otago, which is situated in Dunedin, New Zealand. Our research interests are focused on using a computational approach to investigate catalysis of small molecule reactions on both extended and nanoparticle catalysts.
For more information about the Garden Research Group: http://www.otago.ac.nz/annagarden
Publications
Smith, N. B., Jowett, T., Yu, D., Pahl, E., & Garden, A. L. (2023). Comparison of taboo search methods for atomic cluster global optimization with a basin-hopping algorithm. Journal of Chemical Information & Modeling. Advance online publication. doi: 10.1021/acs.jcim.3c00526
Journal - Research Article
Chan, J. R., Casey-Stevens, C. A., Le Ster, M., Shaib, A., Tadich, A., Cowie, B. C. C., … Garden, A. L., & Natali, F. (2023). Epitaxial growth of gadolinium and samarium thin films and their subsequent facile nitridation at ambient temperatures. Applied Surface Science, 632, 157550. doi: 10.1016/j.apsusc.2023.157550
Journal - Research Article
McIntyre, S. M., Ennis, C., & Garden, A. L. (2023). A computational investigation into the hydrogenation of NO on water ice surfaces to rationalize the NO:HNO:NOH disparity in space. ACS Earth & Space Chemistry. Advance online publication. doi: 10.1021/acsearthspacechem.2c00391
Journal - Research Article
Garden, A. (2023, February). Computational modelling of hydrogen evolution catalysts. Verbal presentation at the Inaugural New Zealand Hydrogen Symposium, Dunedin, New Zealand.
Conference Contribution - Verbal presentation and other Conference outputs
Vasdev, R. A. S., Preston, D., Casey-Stevens, C. A., Martí-Centelles, V., Lusby, P. J., Garden, A. L., & Crowley, J. D. (2023). Exploiting supramolecular interactions to control isomer distributions in reduced-symmetry [Pd2L4]4+ cages. Inorganic Chemistry, 62, 1833-1844. doi: 10.1021/acs.inorgchem.2c00937
Journal - Research Article
Garden, A. L., Abghoui, Y., & Skúlason, E. (2018). Applications of transition metal nitrides as electrocatalysts. In J. S. J. Hargreaves, A. R. McFarlane & S. Laassiri (Eds.), Alternative catalytic materials: Carbides, nitrides, phosphides and amorphous boron alloys. (pp. 133-163). Royal Society of Chemistry. doi: 10.1039/9781788013222-00133
Chapter in Book - Research
Kjaergaard, H. G., Lane, J. R., Garden, A. L., Schofield, D. P., Robinson, T. W., & Mills, M. J. (2008). Atmospheric photolysis of sulfuric acid. In Advances in quantum chemistry (Vol. 55). (pp. 137-158). Elsevier.
Chapter in Book - Research
Chan, J. R., Casey-Stevens, C. A., Le Ster, M., Shaib, A., Tadich, A., Cowie, B. C. C., … Garden, A. L., & Natali, F. (2023). Epitaxial growth of gadolinium and samarium thin films and their subsequent facile nitridation at ambient temperatures. Applied Surface Science, 632, 157550. doi: 10.1016/j.apsusc.2023.157550
Journal - Research Article
McIntyre, S. M., Ennis, C., & Garden, A. L. (2023). A computational investigation into the hydrogenation of NO on water ice surfaces to rationalize the NO:HNO:NOH disparity in space. ACS Earth & Space Chemistry. Advance online publication. doi: 10.1021/acsearthspacechem.2c00391
Journal - Research Article
Smith, N. B., Jowett, T., Yu, D., Pahl, E., & Garden, A. L. (2023). Comparison of taboo search methods for atomic cluster global optimization with a basin-hopping algorithm. Journal of Chemical Information & Modeling. Advance online publication. doi: 10.1021/acs.jcim.3c00526
Journal - Research Article
Vasdev, R. A. S., Preston, D., Casey-Stevens, C. A., Martí-Centelles, V., Lusby, P. J., Garden, A. L., & Crowley, J. D. (2023). Exploiting supramolecular interactions to control isomer distributions in reduced-symmetry [Pd2L4]4+ cages. Inorganic Chemistry, 62, 1833-1844. doi: 10.1021/acs.inorgchem.2c00937
Journal - Research Article
Bondì, L., Garden, A. L., Totti, F., Jerabek, P., & Brooker, S. (2022). Quantitative assessment of ligand substituent effects on σ- and π-contributions to Fe-N bonds in spin crossover FeII complexes. Chemistry: A European Journal. Advance online publication. doi: 10.1002/chem.202104314
Journal - Research Article
Hanifpour, F., Canales, C. P., Fridriksson, E. G., Sveinbjörnsson, A., Tryggvason, T. K., Yang, J., … Garden, A. L., … Skúlason, E. (2022). Operando quantification of ammonia produced from computationally-derived transition metal nitride electro-catalysts. Journal of Catalysis, 413, 956-967. doi: 10.1016/j.jcat.2022.07.030
Journal - Research Article
Qiu, X., Garden, A. L., & Fairbanks, A. J. (2022). Protecting group free glycosylation: one-pot stereocontrolled access to 1,2-trans glycosides and (1→6)-linked disaccharides of 2-acetamido sugars. Chemical Science, 13, 4122. doi: 10.1039/d2sc00222a
Journal - Research Article
Rubin, D., Sansom, C. E., Richards, D. J., Lucas, N. T., Garden, A. L., Saldivia Pérez, P. R., Lord, J. M., & Perry, N. B. (2022). Halimane diterpenes in the alpine daisy Celmisia viscosa: Absolute configuration, 2,6-dideoxyhexopyran-3-ulosides, conformational flexibility, and intraspecific variation. Journal of Natural Products. Advance online publication. doi: 10.1021/acs.jnatprod.2c00206
Journal - Research Article
Bondì, L., Rodríguez-Jiménez, S., Feltham, H. L. C., Garden, A. L., & Brooker, S. (2021). Probing the generality of spin crossover complex T½ vs. ligand 15N NMR chemical shift correlations: Towards predictable tuning. Inorganic Chemistry Frontiers, 8(22), 4846-4857. doi: 10.1039/d1qi00919b
Journal - Research Article
Casey-Stevens, C. A., Ásmundsson, H., Skúlason, E., & Garden, A. L. (2021). A density functional theory study of the mechanism and onset potentials for the major products of NO electroreduction on transition metal catalysts. Applied Surface Science, 552, 149063. doi: 10.1016/j.apsusc.2021.149063
Journal - Research Article
Ruffman, C., Gilmour, J. T. A., & Garden, A. L. (2021). Size-dependent trends in the hydrogen evolution activity and electronic structure of MoS2 nanotubes. Nanoscale Advances, 3, 5860-5871. doi: 10.1039/d1na00441g
Journal - Research Article
Ruffman, C., Gordon, C. K., Gilmour, J. T. A., Mackenzie, F. D., & Garden, A. L. (2021). Enhancing the hydrogen evolution activity of MoS2 basal planes and edges using tunable carbon-based supports. Nanoscale, 13, 3106. doi: 10.1039/d0nr07100e
Journal - Research Article
Weal, G. R., McIntyre, S. M., & Garden, A. L. (2021). Development of a structural comparison method to promote exploration of the potential energy surface in the global optimization of nanoclusters. Journal of Chemical Information & Modeling, 61, 1732-1744. doi: 10.1021/acs.jcim.0c01128
Journal - Research Article
Bondì, L., Garden, A. L., Jerabek, P., Totti, F., & Brooker, S. (2020). Quantitative and chemically intuitive evaluation of the nature of M-L bonds in paramagnetic compounds: Application of EDA-NOCV theory to spin crossover complexes. Chemistry: A European Journal, 26, 13677-13685. doi: 10.1002/chem.202002146
Journal - Research Article
Craig, A. J., Cording, A. P., Garden, A. L., & Hawkins, B. C. (2020). Does the reaction of cyclopropyl acid chlorides and imines to form 1, 3-oxazin-4-enone heterocycles proceed via a ketene or an N-acyl-Iminium mechanism? Journal of Organic Chemistry, 85, 5486-5492. doi: 10.1021/acs.joc.0c00229
Journal - Research Article
Ruffman, C., Gordon, C. K., Skúlason, E., & Garden, A. L. (2020). Mechanisms and potential-dependent energy barriers for hydrogen evolution on supported MoS2 catalysts. Journal of Physical Chemistry C, 124(31), 17015-17026. doi: 10.1021/acs.jpcc.0c04146
Journal - Research Article
Casey-Stevens, C. A., Lambie, S. G., Ruffman, C., Skúlason, E., & Garden, A. L. (2019). Geometric and electronic effects contributing to N2 dissociation barriers on a range of active sites on Ru nanoparticles. Journal of Physical Chemistry C, 123(50), 30458-30466. doi: 10.1021/acs.jpcc.9b09563
Journal - Research Article
Kolb, M. J., Garden, A. L., Badan, C., Garrido Torres, J. A., Skúlason, E., Juurlink, L. B. F., … Koper, M. T. M. (2019). Elucidation of temperature-programmed desorption of high-coverage hydrogen on Pt(211), Pt(221), Pt(533) and Pt(553) based on density functional theory calculations. Physical Chemistry Chemical Physics, 21, 17142-17151. doi: 10.1039/c9cp02330e
Journal - Research Article
Lambie, S. G., Weal, G. R., Blackmore, C. E., Palmer, R. E., & Garden, A. L. (2019). Contrasting motif preferences of platinum and gold nanoclusters between 55 and 309 atoms. Nanoscale Advances, 1(6), 2416-2425. doi: 10.1039/c9na00122k
Journal - Research Article
McPherson, J. N., Hogue, R. W., Akogun, F. S., Bondì, L., Luis, E. T., Price, J. R., Garden, A. L., Brooker, S., & Colbran, S. B. (2019). Predictable substituent control of CoIII/II redox potential and spin crossover in Bis(dipyridylpyrrolide)cobalt complexes. Inorganic Chemistry, 58(3), 2218-2228. doi: 10.1021/acs.inorgchem.8b03457
Journal - Research Article
Preston, D., Inglis, A. R., Garden, A. L., & Kruger, P. E. (2019). A symmetry interaction approach to [M2L2]4+ metallocycles and their self-catenation. Chemical Communications, 55, 13271-13274. doi: 10.1039/C9CC07130J
Journal - Research Article
Rodríguez-Jiménez, S., Bondì, L., Yang, M., Garden, A. L., & Brooker, S. (2019). Predictable electronic tuning by choice of azine substituent in five iron(II) triazoles: Redox properties and DFT calculations. Chemistry: An Asian Journal, 14, 1158-1166. doi: 10.1002/asia.201801537
Journal - Research Article
Garden, A. L., Pedersen, A., & Jónsson, H. (2018). Reassignment of 'magic numbers' for Au clusters of decahedral and FCC structural motifs. Nanoscale, 10(11), 5124-5132. doi: 10.1039/c7nr09440j
Journal - Research Article