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Anna Garden
Anna Garden
Verified email at otago.ac.nz
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Year
Electroreduction of N2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments
Y Abghoui, AL Garden, JG Howalt, T Vegge, E Skúlason
Acs Catalysis 6 (2), 635-646, 2016
3582016
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design
Y Abghoui, AL Garden, VF Hlynsson, S Björgvinsdóttir, H Ólafsdóttir, ...
Physical Chemistry Chemical Physics 17 (7), 4909-4918, 2015
2832015
Calculation of vibrational transition frequencies and intensities in water dimer: Comparison of different vibrational approaches
HG Kjaergaard, AL Garden, GM Chaban, RB Gerber, DA Matthews, ...
The Journal of Physical Chemistry A 112 (18), 4324-4335, 2008
2012008
Calculation of the O− H stretching vibrational overtone spectrum of the water dimer
T Salmi, V Hänninen, AL Garden, HG Kjaergaard, J Tennyson, ...
The Journal of Physical Chemistry A 112 (28), 6305-6312, 2008
78*2008
The mechanism of industrial ammonia synthesis revisited: calculations of the role of the associative mechanism
AL Garden, E Skúlason
The Journal of Physical Chemistry C 119 (47), 26554-26559, 2015
712015
A simple method of predicting spin state in solution
S Rodriguez-Jimenez, M Yang, I Stewart, AL Garden, S Brooker
Journal of the American Chemical Society 139 (50), 18392-18396, 2017
652017
Calculation of conformationally weighted dipole moments useful in ion–molecule collision rate estimates
AL Garden, F Paulot, JD Crounse, IJ Maxwell-Cameron, PO Wennberg, ...
Chemical Physics Letters 474 (1-3), 45-50, 2009
562009
Heterometallic [MnPtn(L)2n]x+ Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands
D Preston, RAJ Tucker, AL Garden, JD Crowley
Inorganic Chemistry 55 (17), 8928-8934, 2016
492016
Redox active [Pd 2 L 4] 4+ cages constructed from rotationally flexible 1, 1′-disubstituted ferrocene ligands
RAS Vasdev, JA Findlay, AL Garden, JD Crowley
Chemical Communications 55 (52), 7506-7509, 2019
422019
Calculated band profiles of the OH-stretching transitions in water dimer
AL Garden, L Halonen, HG Kjaergaard
The Journal of Physical Chemistry A 112 (32), 7439-7447, 2008
422008
Counterpoise corrected geometries of hydrated complexes
AL Garden, JR Lane, HG Kjaergaard
The Journal of chemical physics 125 (14), 2006
392006
Mechanistic Evaluation of Bioorthogonal Decaging with trans-Cyclooctene: The Effect of Fluorine Substituents on Aryl Azide Reactivity and Decaging from the 1,2,3 …
SS Matikonda, JM Fairhall, F Fiedler, S Sanhajariya, RAJ Tucker, S Hook, ...
Bioconjugate chemistry 29 (2), 324-334, 2018
372018
A systematic, first-principles study of the structural preference and magnetic properties of mononitrides of the d-block metals
VF Hlynsson, E Skúlason, AL Garden
Journal of alloys and compounds 603, 172-179, 2014
312014
Catalytic Activity of Pt Nano-Particles for H2 Formation
E Skúlason, AA Faraj, L Kristinsdóttir, J Hussain, AL Garden, H Jónsson
Topics in Catalysis 57, 273-281, 2014
312014
A density functional theory study of the mechanism and onset potentials for the major products of NO electroreduction on transition metal catalysts
CA Casey-Stevens, H Ásmundsson, E Skúlason, AL Garden
Applied Surface Science 552, 149063, 2021
282021
Predictable Substituent Control of CoIII/II Redox Potential and Spin Crossover in Bis(dipyridylpyrrolide)cobalt Complexes
JN McPherson, RW Hogue, FS Akogun, L Bondi, ET Luis, JR Price, ...
Inorganic Chemistry 58 (3), 2218-2228, 2019
262019
Optimized colloidal chemistry for micelle-templated synthesis and assembly of silver nanocomposite materials
AL Garden, K Scholz, DR Schwass, CJ Meledandri
Colloids and Surfaces A: Physicochemical and Engineering Aspects 441, 367-377, 2014
252014
Reassignment of ‘magic numbers’ for Au clusters of decahedral and FCC structural motifs
AL Garden, A Pedersen, H Jónsson
Nanoscale 10 (11), 5124-5132, 2018
232018
Self‐Assembly of Cyclohelicate [M3L3] Triangles Over [M4L4] Squares, Despite Near‐Linear Bis‐terdentate L and Octahedral M
RW Hogue, S Dhers, RM Hellyer, J Luo, GS Hanan, DS Larsen, ...
Chemistry–A European Journal 23 (57), 14193-14199, 2017
212017
Atmospheric photolysis of sulfuric acid
HG Kjaergaard, JR Lane, AL Garden, DP Schofield, TW Robinson, ...
Advances in Quantum Chemistry 55, 137-158, 2008
192008
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Articles 1–20