Density-Functional andab initio computational studies of palladium clusters (original) (raw)

Quantum chemical study of neutral and single charged palladium clusters

Irena Efremenko, Moshe Sheintuch

Journal of Molecular Catalysis A: Chemical, 2000

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Quantum chemical study of small palladium clusters

Moshe Sheintuch

Surface Science, 1998

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Density Functional Study of the Interactions between Dihydrogen and Pdn (n = 1−4) Clusters

Ernst German

Journal of Physical Chemistry A, 2000

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Lowest Energy States of Small Pd Clusters Using Density Functional Theory and Standard ab Initio Methods. A Route to Understanding Metallic Nanoprobes

Angelica Zacarias

The Journal of Physical Chemistry A, 1999

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On the Electronic Structure of Organometallic Palladium Clusters of Medium and Large Size: A Theoretical Study

Jean-francois Halet

Journal of Cluster Science, 2014

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Molecular Dynamics Study of Palladium Clusters: Size Dependent Analysis of Structural Stabilities and Energetics of Pdn (n≤ 40) via a Lennard-Jones Type …

Mustafa Boyukata

Croatica Chemica Acta, 2008

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Effects of ligand coverage on properties of palladium clusters. A density functional theory study

Paola Guadalupe Maximino Nava

Physical Chemistry Chemical Physics, 2004

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Metallic behavior of Pd atomic clusters

Faustino Aguilera-Granja

Nanotechnology, 2007

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Systematic study of the lowest energy states of Pd, Pd2, and Pd3

Angelica Zacarias

International Journal of Quantum Chemistry, 1997

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Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters

Xiaodong Xing

Scientific reports, 2016

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Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters OPEN

George Maroulis

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Quantum Theoretical Study of Palladium and Silver Clusters

Jose Pacheco

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The structure and properties of small Pd clusters

juan alejandro valdivia

Nanotechnology, 2008

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Structures and energetics of Pd21–Pd55 clusters

Ziya Guvenc

Surface Science, 2003

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Structures and energetics Of Pd n ( n=2–20) clusters using an embedded-atom model potential

Suleyman Ozcelik

Surface Science, 2002

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First principles study of small palladium cluster growth and isomerization

Robert Forrey

International Journal of Quantum Chemistry, 2007

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A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters

Utpal Sarkar

Molecular Simulation, 2014

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Structure and Magnetism of Neutral and Anionic Palladium Clusters

Uzi Landman

Physical Review Letters, 2001

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Small Pd clusters: A comparison of phenomenological and ab initio approaches

Aldo Romero

Physical Review B, 2005

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Study of bimetallic Pd–Pt clusters in both free and supported phases

M. Broyer

The Journal of Chemical Physics, 1995

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Collinear versus noncollinear magnetic order in Pd atomic clusters:Ab initiocalculations

Faustino Aguilera-Granja

Physical Review B, 2006

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Magnetic properties of Pd atomic clusters from different theoretical approaches

Luis Vega Orellana

European Physical Journal D, 2007

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Chemisorption of small molecules on palladium in terms of local density functional calculations

mark eberhart

Surface Science, 1996

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Oxidation of small gas phase Pd clusters: A density functional study

Uzi Landman

Computational Materials Science, 2006

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Elucidating the Electronic Structure of the Ligated Cuboctahedral Palladium Cluster [Pd13(μ4-C7H7)6]2+

Jean-francois Halet

Journal of Cluster Science, 2019

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Density functional investigation of silver, palladium and silver-palladium small sized clusters

Otto Hahn-Herrera

2009

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Structure of V-doped Pd (n = 2–12) clusters and their ability for H2 dissociation

Fernando Murillo

International Journal of Hydrogen Energy, 2018

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Electronic structure of palladium in the presence of many-body effects

M. Sekania

Physical Review B, 2016

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Metal-Supported Metal Clusters: A Density Functional Study of Pt3 and Pd3

Juan Jose Gonzalez Santana

The Journal of Physical Chemistry C, 2012

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Electronic and structural investigations of palladium clusters by x-ray absorption near-edge structure and extended x-ray absorption fine-structure spectroscopies

Marco Diociaiuti

Physical review, 1986

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Atomic configurations of Pd atoms in PdAu(111) and PdAu(100) surface alloys: Ab initio density functional calculations

Nino Russo

Chemical Physics Letters, 2009

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Density-functional study of the pure and palladium doped small copper and silver clusters

Hamideh Kahnouji

Chemical Physics Letters

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