Olga Lopez-Acevedo
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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Du³ak, L Ferrighi, ...
Journal of physics: Condensed matter 22 (25), 253202, 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
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
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
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
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
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), 1-9, 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
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
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
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 Du³ak, ...
The Journal of chemical physics 131 (1), 014101, 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), 234102, 2014
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
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
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
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), 094701, 2011
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
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
Electronic structure of gold, aluminum, and gallium superatom complexes
O Lopez-Acevedo, PA Clayborne, H Häkkinen
Physical Review B 84 (3), 035434, 2011
Optical Spectra of the Special Au144 Gold-Cluster Compounds: Sensitivity to Structure and Symmetry
HC Weissker, O Lopez-Acevedo, RL Whetten, X López-Lozano
The Journal of Physical Chemistry C 119 (20), 11250-11259, 2015
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