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List of works by Olga Lopez-Acevedo

A density functional investigation of thiolate-protected bimetal PdAu24(SR)18z clusters: doping the superatom complex

scientific article published on 11 June 2009

A unified view of ligand-protected gold clusters as superatom complexes.

scholarly article

Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations.

scientific article published in December 2016

Characterization of Iron−Carbonyl-Protected Gold Clusters

scientific article published on 01 September 2009

Chirality and Electronic Structure of the Thiolate-Protected Au38Nanocluster

scientific article published on 01 June 2010

Conductance through atomic point contacts between fcc(100) electrodes of gold

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

scientific article published in July 2009

Derivatives of the thiolate-protected gold cluster Au25(SR)18 -1

scholarly article in European Physical Journal D, vol. 63 no. 2, April 2011

Electronic and vibrational signatures of the Au102(p-MBA)44 cluster

scientific article published on 24 February 2011

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

scientific article published on 10 June 2010

Electronic structure of gold, aluminum, and gallium superatom complexes

scholarly article by Olga Lopez-Acevedo et al published 25 July 2011 in Physical Review B

Excitation-dependent fluorescence from atomic/molecular layer deposited sodium-uracil thin films.

scientific article published on August 2017

Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

scientific article published on 30 October 2017

Large-Z limit in atoms and solids from first principles

scientific article published on 01 December 2019

Oligomeric Gold−Thiolate Units Define the Properties of the Molecular Junction between Gold and Benzene Dithiols

Optimizing a parametrized Thomas-Fermi-Dirac-Weizsäcker density functional for atoms

scientific article published on 11 May 2015

Orbital-free density functional theory implementation with the projector augmented-wave method ⬇️

scientific article published on 01 December 2014

Piezoelectric coefficients and spontaneous polarization of ScAlN.

scientific article

Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

scientific article published on 24 March 2010

Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution

scientific article published on 17 July 2017

Self-consistent assessment of Englert-Schwinger model on atomic properties

scientific article published in December 2017

Silver (I) as DNA glue: Ag(+)-mediated guanine pairing revealed by removing Watson-Crick constraints

scientific article published on 14 May 2015

Silver-Mediated Double Helix: Structural Parameters for a Robust DNA Building Block

scientific article published on 27 October 2017

Silver-Stabilized Guanine Duplex: Structural and Optical Properties

scientific article published on 09 August 2018

Solvent driven formation of silver embedded resorcinarene nanorods

scientific article published in 2012

Structure and Bonding in the Ubiquitous Icosahedral Metallic Gold Cluster Au144(SR)60

The Al50Cp*12 Cluster - A 138-Electron Closed Shell (L = 6) Superatom

article

The Role of Hydrogen Bonds in the Stabilization of Silver-Mediated Cytosine Tetramers

scientific article

Theoretical Characterization of Cyclic Thiolated Copper, Silver, and Gold Clusters

Thiolate-Protected Au25 Superatoms as Building Blocks: Dimers and Crystals

scientific article

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