| 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 | 396 | 2016 |
| 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 | 310 | 2015 |
| 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 | 208 | 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 | 82 | 2015 |
| 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 | 80* | 2008 |
| 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 | 74 | 2017 |
| 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 | 58 | 2009 |
| 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 | 51 | 2016 |
| 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 | 48 | 2019 |
| 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 | 43 | 2018 |
| 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 | 42 | 2008 |
| Counterpoise corrected geometries of hydrated complexes AL Garden, JR Lane, HG Kjaergaard The Journal of chemical physics 125 (14), 2006 | 40 | 2006 |
| 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 | 33 | 2014 |
| 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 | 32 | 2019 |
| 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 | 31 | 2021 |
| 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 | 31 | 2014 |
| Contrasting motif preferences of platinum and gold nanoclusters between 55 and 309 atoms SG Lambie, GR Weal, CE Blackmore, RE Palmer, AL Garden Nanoscale advances 1 (6), 2416-2425, 2019 | 25 | 2019 |
| 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 | 25 | 2018 |
| 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 | 24 | 2014 |
| Geometric and Electronic Effects Contributing to N2 Dissociation Barriers on a Range of Active Sites on Ru Nanoparticles CA Casey-Stevens, SG Lambie, C Ruffman, E Skúlason, AL Garden The Journal of Physical Chemistry C 123 (50), 30458-30466, 2019 | 23 | 2019 |
Egill SkúlasonProfessor, Faculty of Chemical Engineering, University of IcelandVerified email at atmonia.com
