Search filters

List of works by Roy L. Johnston

A DFT study of oxygen dissociation on platinum based nanoparticles

scientific article published on 01 January 2014

A Threshold-Minimization Scheme for Exploring the Energy Landscape of Biomolecules: Application to a Cyclic Peptide and a Disaccharide

scientific article published on 15 April 2016

A theoretical study of the structures and optical spectra of helical copper-silver clusters

scientific article published on 12 March 2014

Activity Trends of Binary Silver Alloy Nanocatalysts for Oxygen Reduction Reaction in Alkaline Media

scientific article published on 2 February 2017

Altering CO binding on gold cluster cations by Pd-doping

scientific article published on 01 August 2019

An atomistic view of the interfacial structures of AuRh and AuPd nanorods

scientific article published on 01 August 2013

Analyzing energy landscapes for folding model proteins

scientific article published in May 2006

Application of new nanoparticle structures as catalysts: general discussion

scientific article published on 01 September 2018

AuCu Aerogels with Intriguing Surface Electronic Modulation as Highly Active and Stable Electrocatalysts for Oxygen Reduction and Borohydride Oxidation.

scientific article published on 13 February 2018

Bifunctional Electrocatalysts for Oxygen Reduction and Borohydride Oxidation Reactions Using Ag3Sn Nanointermetallic for the Ensemble Effect

scientific article

Bismuth-doped tin clusters: experimental and theoretical studies of neutral Zintl analogues.

scientific article published on 12 July 2012

Characterizing potential surface topographies through the distribution of saddles and minima

scientific article published on 01 October 2006

Charge-induced dipole vs. relativistically enhanced covalent interactions in Ar-tagged Au-Ag tetramers and pentamers

scientific article

Chemical bonding in initial building blocks of semiconductors: Geometrical structures and optical absorption spectra of isolated CdSe2+ and Cd2Se2+ species

scientific article published on 01 December 2018

Chiral effects on helicity studied via the energy landscape of short (D, L)-alanine peptides

scientific article published on 01 October 2015

Communication: Global minimum search of Ag₁₀⁺ with molecular beam optical spectroscopy

scientific article published in November 2014

Comparative modelling of chemical ordering in palladium-iridium nanoalloys.

scientific article published in December 2014

Computational and experimental investigations into the conformations of cyclic tetra-α/β-peptides.

scientific article published in July 2013

Configuration of microbially synthesized Pd-Au nanoparticles studied by STEM-based techniques

scientific article published on 11 January 2012

DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters.

scientific article published in September 2016

DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle

scientific article published in December 2014

DFT study of the structure, chemical ordering and molecular adsorption of Pd-Ir nanoalloys.

scientific article

DFT study of the structures and energetics of 98-atom AuPd clusters

scientific article published on 5 December 2012

Development and optimization of a novel genetic algorithm for identifying nanoclusters from scanning transmission electron microscopy images.

scientific article published on 25 November 2011

Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys ⬇️

scientific article published on October 19, 2011

Empirical potential-energy function for calcium solids and clusters

scientific article published on 01 February 1994

Energetic, electronic, and thermal effects on structural properties of Ag-Au nanoalloys

scientific article published in January 2008

Energy Landscapes and Global Optimization of Self-Assembling Cyclic Peptides

scientific article published on 01 April 2014

Energy landscape and global optimization for a frustrated model protein ⬇️

scientific article published on 09 September 2011

Energy landscape exploration of sub-nanometre copper-silver clusters

scientific article published on 17 March 2015

Engineering Bimetallic Ag-Cu Nanoalloys for Highly Efficient Oxygen Reduction Catalysts: A Guideline for Designing Ag-Based Electrocatalysts with Activity Comparable to Pt/C-20.

scientific article published on 15 March 2017

Evolving Opportunities in Structure Solution from Powder Diffraction Data-Crystal Structure Determination of a Molecular System with Twelve Variable Torsion Angles

scientific article published on 01 March 1999

Exploring the Energy Landscapes of Cyclic Tetrapeptides with Discrete Path Sampling ⬇️

scientific article published on November 5, 2012

Faceting preferences for Au(N) and Pd(N) nanoclusters with high-symmetry motifs.

scientific article published on 29 April 2013

Geometry optimisation of aluminium clusters using a genetic algorithm

scientific article published in May 2002

Global optimization of 8-10 atom palladium-iridium nanoalloys at the DFT level.

scientific article published on 24 December 2013

Global optimization of bimetallic cluster structures. I. Size-mismatched Ag-Cu, Ag-Ni, and Au-Cu systems.

scientific article published in May 2005

Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level.

scientific article

Gold doping of tin clusters: exo- vs. endohedral complexes

scientific article published on 27 June 2019

How many dimensions are required to approximate the potential energy landscape of a model protein?

scientific article published on 01 February 2005

In situ high-potential-driven surface restructuring of ternary AgPd-Ptdilute aerogels with record-high performance improvement for formate oxidation electrocatalysis

scientific article published on 01 August 2019

Influence of spin-orbit effects on structures and dielectric properties of neutral lead clusters

scientific article published in April 2014

Investigation of the structures and chemical ordering of small Pd-Au clusters as a function of composition and potential parameterisation

scientific article published on 12 July 2010

Isomers and Energy Landscapes of Perchlorate-Water Clusters and a Comparison to Pure Water and Sulfate-Water Clusters

scientific article

Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters

scientific article published in March 2018

Leveraging Hierarchical Self-Assembly Pathways for Realizing Colloidal Photonic Crystals

scientific article published on 06 May 2020

Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging

scientific article published on 13 August 2014

Modelling free and oxide-supported nanoalloy catalysts: comparison of bulk-immiscible Pd-Ir and Au-Rh systems and influence of a TiO2 support

scientific article published on 01 September 2018

Modelling the metal-on-top effect for Pd clusters on the MgO{100} substrate

scientific article published on 01 June 2013

Nanoalloys: from theory to application. Preface

scientific article published on 01 January 2008

Nanoalloys: from theory to applications of alloy clusters and nanoparticles

scientific article published on 01 March 2008

Note: gas phase structures of bare Si8 and Si11 clusters from molecular beam electric deflection experiments

scientific article published on 01 May 2012

Optical and electronic properties of mixed Ag-Au tetramer cations.

scientific article published in February 2014

Overgrowth of Rhodium on Gold Nanorods.

scientific article published on 16 April 2012

Pd(n)Ag(4-n) and Pd(n)Pt(4-n) clusters on MgO (100): a density functional surface genetic algorithm investigation.

scientific article

Polymorphism of a novel sodium ion channel blocker.

scientific article published in October 2003

Pool-BCGA: a parallelised generation-free genetic algorithm for the ab initio global optimisation of nanoalloy clusters

scientific article published on 8 December 2014

Protein structure optimization with a "Lamarckian" ant colony algorithm.

scientific article

Recent advances in the chemical physics of nanoalloys

scientific article published on 12 August 2015

Searching for the optimum structures of alloy nanoclusters.

scientific article published in February 2008

Spectroscopy of growing and evaporating water droplets: exploring the variation in equilibrium droplet size with relative humidity

scientific article published in July 2006

Strategies for increasing the efficiency of a genetic algorithm for the structural optimization of nanoalloy clusters

scientific article published on 01 July 2005

Structural evolution and metallicity of lead clusters

scientific article

Structural motifs, mixing, and segregation effects in 38-atom binary clusters

scientific article published on 01 April 2008

Structure and solid solution properties of Cu-Ag nanoalloys

scientific article published on 11 June 2014

Structures and Energy Landscapes of Hydrated Sulfate Clusters

scientific article published on 10 April 2015

Structures and energetics of 98 atom Pd-Pt nanoalloys: potential stability of the Leary tetrahedron for bimetallic nanoparticles

scientific article published in October 2007

Structures and optical properties of 4-5 nm bimetallic AgAu nanoparticles

scientific article published on 01 January 2008

Symmetrisation schemes for global optimisation of atomic clusters ⬇️

scientific article published on March 21, 2013

The Birmingham parallel genetic algorithm and its application to the direct DFT global optimisation of Ir(N) (N = 10-20) clusters

scientific article published on 4 August 2015

The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles.

scientific article published on 31 August 2015

The Nature of Bonding between Argon and Mixed Gold-Silver Trimers

scientific article

The challenges of characterising nanoparticulate catalysts: general discussion

scientific article published on 01 September 2018

Theoretical study of Cu(38-n)Au(n) clusters using a combined empirical potential-density functional approach.

scientific article published on 30 September 2009

Theoretical study of the structures and chemical ordering of cobalt-palladium nanoclusters.

scientific article published on 11 May 2015

Theory and experiment of optical absorption of platinum nanoparticles synthesized by gamma radiation

scientific article published on 22 February 2019

Theory as a driving force to understand reactions on nanoparticles: general discussion

scientific article published on 01 September 2018

Three-dimensional atomic-scale structure of size-selected gold nanoclusters.

scientific article published in January 2008

Topographical complexity of multidimensional energy landscapes

scholarly article

Understanding and controlling the structure and segregation behaviour of AuRh nanocatalysts

scientific article (publication date: 14 October 2016)

Visualizing energy landscapes with metric disconnectivity graphs

scientific article

Paulina is supported by:

About Paulina

Help