| Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ... Journal of physics: Condensed matter 22 (25), 253202, 2010 | 2490 | 2010 |
| A unified view of ligand-protected gold clusters as superatom complexes M Walter, J Akola, O Lopez-Acevedo, PD Jadzinsky, G Calero, ... Proceedings of the National Academy of Sciences 105 (27), 9157-9162, 2008 | 1749 | 2008 |
| Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60 O Lopez-Acevedo, J Akola, RL Whetten, H Gronbeck, H Hakkinen The Journal of Physical Chemistry C 113 (13), 5035-5038, 2009 | 470 | 2009 |
| Chirality and Electronic Structure of the Thiolate-Protected Au38 Nanocluster O Lopez-Acevedo, H Tsunoyama, T Tsukuda, H Hakkinen, CM Aikens Journal of the American Chemical Society 132 (23), 8210-8218, 2010 | 453 | 2010 |
| Piezoelectric coefficients and spontaneous polarization of ScAlN MA Caro, S Zhang, T Riekkinen, M Ylilammi, MA Moram, ... Journal of Physics: Condensed Matter 27 (24), 245901, 2015 | 400 | 2015 |
| Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters O Lopez-Acevedo, KA Kacprzak, J Akola, H Häkkinen Nature chemistry 2 (4), 329-334, 2010 | 354 | 2010 |
| Silver (I) as DNA glue: Ag+-mediated guanine pairing revealed by removing Watson-Crick constraints SM Swasey, LE Leal, O Lopez-Acevedo, J Pavlovich, EG Gwinn Scientific reports 5 (1), 10163, 2015 | 169 | 2015 |
| Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals J Akola, KA Kacprzak, O Lopez-Acevedo, M Walter, H Gronbeck, ... The Journal of Physical Chemistry C 114 (38), 15986-15994, 2010 | 124 | 2010 |
| A density functional investigation of thiolate-protected bimetal PdAu 24 (SR) 18 z clusters: doping the superatom complex KA Kacprzak, L Lehtovaara, J Akola, O Lopez-Acevedo, H Häkkinen Physical Chemistry Chemical Physics 11 (33), 7123-7129, 2009 | 113 | 2009 |
| Orbital-free density functional theory implementation with the projector augmented-wave method J Lehtomäki, I Makkonen, MA Caro, A Harju, O Lopez-Acevedo The Journal of Chemical Physics 141 (23), 2014 | 112 | 2014 |
| Electronic and Vibrational Signatures of the Au102(p-MBA)44 Cluster E Hulkko, O Lopez-Acevedo, J Koivisto, Y Levi-Kalisman, RD Kornberg, ... Journal of the American Chemical Society 133 (11), 3752-3755, 2011 | 105 | 2011 |
| GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ... The Journal of Chemical Physics 160 (9), 2024 | 91 | 2024 |
| Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ... The Journal of chemical physics 131 (1), 2009 | 87 | 2009 |
| Experimental and density functional theory analysis of serial introductions of electron-withdrawing ligands into the ligand shell of a thiolate-protected Au25 nanoparticle JF Parker, KA Kacprzak, O Lopez-Acevedo, H Hakkinen, RW Murray The Journal of Physical Chemistry C 114 (18), 8276-8281, 2010 | 73 | 2010 |
| Theoretical characterization of cyclic thiolated copper, silver, and gold clusters KA Kacprzak, O Lopez-Acevedo, H Hakkinen, H Gronbeck The Journal of Physical Chemistry C 114 (32), 13571-13576, 2010 | 63 | 2010 |
| The role of hydrogen bonds in the stabilization of silver-mediated cytosine tetramers LA Espinosa Leal, A Karpenko, S Swasey, EG Gwinn, V Rojas-Cervellera, ... The Journal of Physical Chemistry Letters 6 (20), 4061-4066, 2015 | 58 | 2015 |
| Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations MA Caro, T Laurila, O Lopez-Acevedo The Journal of chemical physics 145 (24), 2016 | 57 | 2016 |
| Evidence of superatom electronic shells in ligand-stabilized aluminum clusters P Andre Clayborne, O Lopez-Acevedo, RL Whetten, H Grönbeck, ... The Journal of chemical physics 135 (9), 2011 | 51 | 2011 |
| Oligomeric gold− thiolate units define the properties of the molecular junction between gold and benzene dithiols M Strange, O Lopez-Acevedo, H Hakkinen The Journal of Physical Chemistry Letters 1 (10), 1528-1532, 2010 | 51 | 2010 |
| Atomic and electronic structure of tetrahedral amorphous carbon surfaces from density functional theory: Properties and simulation strategies MA Caro, R Zoubkoff, O Lopez-Acevedo, T Laurila Carbon 77, 1168-1182, 2014 | 50 | 2014 |
hannu häkkinenprofessor, University of JyvaskylaVerified email at jyu.fi
