Density-functional global optimization of (La2O3)n clusters

Novel Au/La2O3 and Au/La2O2SO4 catalysts for the water–gas shift reaction prepared via an anion adsorption method

(2012) Joseph D. Lessard et al.   CHEMICAL COMMUNICATIONS

Structural Diversity and Flexibility of MgO Gas-Phase Clusters

(2011) Karolina Kwapien et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electron Affinities of the Early Lanthanide Monoxide Molecules

(2011) Chao-xian Chi et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Classification of VxOyq Clusters by Δ = 2y+q−5x

(2011) Yan-ping Ma et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Anisotropy effect on global minimum structures of clusters: Two-center Lennard-Jones model

(2011) Yan Feng et al.   JOURNAL OF CHEMICAL PHYSICS

Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search

(2011) Linwei Sai et al.   JOURNAL OF CHEMICAL PHYSICS

Identifying clusters as low-lying mimina-efficiency of stochastic and genetic algorithms using inexpensive electronic structure levels

(2011) Fabrice Avaltroni et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Topological method for global optimization of clusters: Application to (TiO2)n (n = 1-6)

(2011) Lingli Tang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental and Theoretical Study of Hydrogen Atom Abstraction fromn-Butane by Lanthanum Oxide Cluster Anions

(2011) Bo Xu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of CenO2n+1– (n = 1–21)

(2011) Xiao-Nan Wu et al.   Journal of Physical Chemistry C

Structural and Electronic Properties of (Al2O3)n Clusters with n = 1–10 from First Principles Calculations

(2011) Amol B. Rahane et al.   Journal of Physical Chemistry C

Structural and Electronic Properties of Neutral and Ionic (Ga2O3)n Clusters with n = 1–10

(2011) Amol B. Rahane et al.   Journal of Physical Chemistry C

From Elements to Clusters: The Periodic Table Revisited

(2011) A. W. Castleman   Journal of Physical Chemistry Letters

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical DFT study of the structure and chemical activity of small indium(III) oxide clusters

(2011) Nurbosyn U. Zhanpeisov et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Global optimization

(2011) Bernd Hartke   Wiley Interdisciplinary Reviews-Computational Molecular Science

Hydrogen-Atom Abstraction from Methane by Stoichiometric Vanadium-Silicon Heteronuclear Oxide Cluster Cations

(2010) Xun-Lei Ding et al.   CHEMISTRY-A EUROPEAN JOURNAL

Ab initioenergy landscape of LiF clusters

(2010) K. Doll et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrogen dioxide reactions with atomic lanthanide cations and their monoxides: gas-phase kinetics at room temperature

(2010) Michael J. Y. Jarvis et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Evolutionary structure prediction and electronic properties of indium oxide nanoclusters

(2010) Aron Walsh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synergy between theory and experiment in structure resolution of low-dimensional oxides

(2010) Marek Sierka   PROGRESS IN SURFACE SCIENCE

Transition metal oxide clusters with character of oxygen-centered radical: a DFT study

(2010) Yan-Xia Zhao et al.   THEORETICAL CHEMISTRY ACCOUNTS

Cluster-Assembled Materials

(2009) Shelley A. Claridge et al.   ACS Nano

Density functional study on cage and noncage (Fe2O3)n clusters

(2009) Xun-Lei Ding et al.   JOURNAL OF CHEMICAL PHYSICS

Funnel hopping: Searching the cluster potential energy surface over the funnels

(2009) Longjiu Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Optimization of bimetallic Cu-Au and Ag-Au clusters by using a modified adaptive immune optimization algorithm

(2009) Xia Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Infrared Spectra of Oxygen-Rich Yttrium and Lanthanum Dioxygen/Ozonide Complexes in Solid Argon

(2009) Yu Gong et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical study of Cu38−nAun clusters using a combined empirical potential–density functional approach

(2009) Dung T. Tran et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural transition of hexagonal tube to rocksalt for (MgO)3n, 2≤n≤10

(2008) Ruibin Dong et al.   JOURNAL OF CHEMICAL PHYSICS

Photodissociation of Yttrium and Lanthanum Oxide Cluster Cations

(2008) Z. D. Reed et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of the Gas-Phase Chemiionization Reactions La + O and La + O2

(2008) Tanya K. Todorova et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Identification of Conical Structures in Small Aluminum Oxide Clusters: Infrared Spectroscopy of (Al2O3)1−4(AlO)+

(2008) Gabriele Santambrogio et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gas phase vibrational spectroscopy of mass-selected vanadium oxide anions

(2008) Gabriele Santambrogio et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS