Dr Anna L. Garden

Computational Heterogeneous Catalysis
University of Otago, Dunedin, New Zealand

Publications

Below is a list of all peer-reviewed publications. For a reprint contact me.

2016

  1. D. Preston, R. Tucker, A. Garden, J. Crowley, "Heterometallic [MnPtn(L)2n]x+ Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands", Inorg. Chem., 55(17), 8928-8934 (2016).

  2. Y. Abghoui, A. L. Garden, J. G. Howalt, T. Vegge, E. Skúlason, "Electroreduction of N2 to ammonia at ambient conditions on mononitrides of Zr, Nb, Cr and V: A DFT guide for experiments", ACS Catal., 6, 635-646 (2016).

2015

  1. A. L. Garden, E. Skúlason, "The mechanism of industrial ammonia synthesis revisited: Calculations of the role of the associative mechanism", J. Phys. Chem. C, 119, 26554-26559 (2015).

  2. Y. Abghoui, A. L. Garden, V. F. Hlynsson, S. Björgvinsdóttir, H. Ólafsdóttir, E. Skúlason, "Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design", Phys. Chem. Chem. Phys, 17, 4909-4918 (2015).

2014

  1. V. F. Hlynsson, E. Skúlason, A. L. Garden, "A systematic, first-principles study of the structural preference and magnetic properties of mononitrides of the d-block metals", J. Alloy. Compd., 603, 172-179 (2014).

  2. E. Skúlason, A. A. Faraj, L. Kristinsdóttir, J. Hussain, A. L. Garden, H. Jónsson, "Catalytic activity of Pt nano-particles for H2 formation", Top. Catal., 57, 273-281 (2014).

  3. A. L. Garden, K. Scholz, D. R. Schwass, C. J. Meledandri, "Optimized colloidal chemistry for micelle-templated synthesis and assembly of silver nanocomposite materials", Colloids Surf. A, 441, 367-377 (2014).

2013

  1. A. L. Garden, L. van der Salm, D. R. Schwass, C. J. Meledandri, "Towards a tunable microemulsion method for nanoparticle synthesis", RSC Adv., 3, 2192-2196 (2013).

2011

  1. A. L. Garden, L. Halonen, H. G. Kjaergaard, "Widening of the hydrogen bonded OH-stretching bands due to the wagging and OO-stretching modes in H2O.H2O", Chem. Phys. Lett., 513, 167-172 (2011).

2009

  1. A. L. Garden, F. Paulot, J. D. Crounse, I. J. Maxwell-Cameron, P. O. Wennberg, H. G. Kjaergaard, "Calculation of conformationally weighted dipole moments useful in ion-molecule collision rate estimates", Chem. Phys. Lett., 474, 45-50 (2009).

2008

  1. H. G. Kjaergaard, J. R. Lane, A. L. Garden, D. P. Schofield, T. W. Robinson, M. J. Mills, "Atmospheric photolysis of sulfuric acid", Adv. Quant. Chem., 55, 137-158 (2008).

  2. A. L. Garden, L. Halonen, H. G. Kjaergaard, "Calculated band profiles of the OH-stretching transitions in water dimer", J. Phys. Chem. A, 112, 7439-7447 (2008).

  3. T. Salmi, V. Hänninen, A. L. Garden, H. G. Kjaergaard, J. Tennyson, L. Halonen, "Calculation of the O-H stretching vibrational overtone spectrum of the water dimer", J. Phys. Chem. A, 112, 6305-6312 (2008).

  4. H. G. Kjaergaard, A. L. Garden, G. M. Chaban, R. B. Gerber, D. A. Matthews, J. F. Stanton, "Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches", J. Phys. Chem. A, 112, 4324-4335 (2008).

2006

  1. A. L. Garden, J. R. Lane, H. G. Kjaergaard,"Counterpoise corrected geometries of hydrated complexes", J. Chem Phys., 125, 144317 (2006).