Hydrogen evolution from water using Mo–oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo2O4−/Mo2O5− cluster couple

Theoretical Investigation of Water Oxidation on Fully Saturated Mn2O3 and Mn2O4 Complexes

(2016) Amendra Fernando et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

(2015) Amendra Fernando et al.   CHEMICAL REVIEWS

Conceptual Basis for Understanding C–C Bond Activation in Ethane by Second Row Transition Metal Carbides

(2015) Sanjubala Sahoo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab initio electronic structure study of a model water splitting dimer complex

(2015) Amendra Fernando et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparative study of water reactivity with Mo2Oy− and W2Oy− clusters: A combined experimental and theoretical investigation

(2014) Manisha Ray et al.   JOURNAL OF CHEMICAL PHYSICS

Water Adsorption and Dissociation Processes on Small Mn-Doped TiO2 Complexes

(2014) Choongkeun Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY A

O-atom transport catalysis by neutral manganese oxide clusters in the gas phase: Reactions with CO, C2H4, NO2, and O2

(2013) Shi Yin et al.   JOURNAL OF CHEMICAL PHYSICS

Double C–H Bond Activation of Hydrocarbons by a Gas Phase Neutral Oxide Cluster: The Importance of Spin State

(2013) Zhe-Chen Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Catalytic oxidation of CO by N2O conducted via the neutral oxide cluster couple VO2/VO3

(2013) Zhe-Chen Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reactivity of metal oxide clusters with hydrogen peroxide and water – a DFT study evaluating the performance of different exchange–correlation functionals

(2013) Cláudio M. Lousada et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical Investigation of the Electrochemical Mechanism of Water Splitting on a Titanium Oxide Cluster Model

(2011) Lila B. Pandey et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hydrogenation Reactions of Ethylene on Neutral Vanadium Sulfide Clusters: Experimental and Theoretical Studies

(2011) Shi Yin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS

Disparate product distributions observed in Mo(3−x)WxOy− (x=0–3; y=3–9) reactions with D2O and CO2

(2010) David W. Rothgeb et al.   JOURNAL OF CHEMICAL PHYSICS

H2 production from reactions between water and small molybdenum suboxide cluster anions

(2010) David W. Rothgeb et al.   JOURNAL OF CHEMICAL PHYSICS

Reactivity of Aluminum Cluster Anions with Water: Origins of Reactivity and Mechanisms for H2Release

(2010) Arthur C. Reber et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic structure of coordinatively unsaturated molybdenum and molybdenum oxide carbonyls

(2009) Ekram Hossain et al.   JOURNAL OF CHEMICAL PHYSICS

Unusual products observed in gas-phase WxOy−+H2O and D2O reactions

(2009) David W. Rothgeb et al.   JOURNAL OF CHEMICAL PHYSICS

Water reactivity with tungsten oxides: H2 production and kinetic traps

(2009) Nicholas J. Mayhall et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation of the reactions of small neutral iron oxide clusters with methanol

(2009) Yan Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Reactivity Trends in the Oxidation of CO by Anionic Transition Metal Oxide Clusters

(2009) J. Ulises Reveles et al.   Journal of Physical Chemistry C

Clusters, Superatoms, and Building Blocks of New Materials

(2009) A. W. Castleman et al.   Journal of Physical Chemistry C

CC Bond Cleavage on Neutral VO3(V2O5)nClusters

(2009) Feng Dong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Influence of Charge State on Catalytic Oxidation Reactions at Metal Oxide Clusters Containing Radical Oxygen Centers

(2009) Grant E. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory for transition metals and transition metal chemistry

(2009) Christopher J. Cramer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Complementary Active Sites Cause Size-Selective Reactivity of Aluminum Cluster Anions with Water

(2009) P. J. Roach et al.   SCIENCE

Stoichiometric Zirconium Oxide Cations as Potential Building Blocks for Cluster Assembled Catalysts

(2008) Grant E. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Spin Conservation Accounts for Aluminum Cluster Anion Reactivity Pattern with O2

(2008) R. Burgert et al.   SCIENCE