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Physical Review Letters, ISSN 0031-9007, 03/2012, Volume 108, Issue 12
We present an optimized genetic algorithm used in conjunction with density-functional theory in the search for stable gold clusters and O-2 adsorption... 
NANOPARTICLES | TEMPERATURE | PHYSICS, MULTIDISCIPLINARY | GAS | OPTIMIZATION | NOBLE | CATALYTIC-ACTIVITY | CO OXIDATION | GENETIC ALGORITHM
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 08/2012, Volume 134, Issue 30, pp. 12807 - 12816
Understanding the adsorption and mobility of metal–organic framework (MOF)-supported metal nanoclusters is critical to the development of these catalytic... 
EVANS-POLANYI RELATION | DENSITY | ORGANIC-FRAMEWORK | FORMIC-ACID | NANOPARTICLES | HYDROGEN | GOLD CLUSTERS | SURFACE FREE-ENERGIES | ELASTIC BAND METHOD | ADSORPTION | CHEMISTRY, MULTIDISCIPLINARY | Usage | Gold compounds | Adsorption | Analysis | Density functionals | Electron mobility | Catalysis | Chemical properties | Electric properties
Journal Article
ACS Catalysis, ISSN 2155-5435, 06/2014, Volume 4, Issue 6, pp. 1626 - 1631
We present a density functional theory study of the CO oxidation reaction at a Au24 cluster supported on a rutile TiO2(110) slab. The global minimum structure... 
gold | heterogeneous catalysis | CO oxidation | global optimization | density functional theory | GOLD NANOPARTICLES | STABILITY | PLATINUM | CHEMISTRY, PHYSICAL | ADSORPTION | AU/TIO2 | TRANSITION | METHANOL DECOMPOSITION | CHEMISTRY | TiO2 | ACTIVE OXYGEN
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 12/2012, Volume 3, Issue 24, pp. 3702 - 3706
Metal organic frameworks (MOFs) have experimentally been demonstrated to be capable of supporting isolated transition-metal clusters, but the stability of... 
Surfaces, Interfaces, Porous Materials, and Catalysis | Interfaces | Surfaces | Catalysis | Porous Materials | CATALYSIS | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | SEPARATION | MOFS | ADSORPTION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2013, Volume 139, Issue 20, p. 204701
We present a density functional theory study of the oxidation of 1D periodic rods supported along the [001] direction on the rutile TiO2(110) surface. The... 
GOLD NANOPARTICLES | DENSITY | NANOCLUSTERS | SURFACE SCIENCE | OXIDE | SIZE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SITES | AU/TIO2 CATALYST | CO OXIDATION | TIO2 | Gold | Density functional theory | Oxidation | Charge transfer | Cobalt | Titanium dioxide | Genetic algorithms
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 11/2011, Volume 84, Issue 20
We present a detailed investigation of the structure and activity of extended defects, namely, monoatomic steps on (1x1) TiO2(110). Specifically, the two most... 
TIO2 PHOTOCATALYSIS | OXYGEN | PHYSICS, CONDENSED MATTER | SURFACE SCIENCE | DEFECTS | H2O | GROWTH | CHEMISTRY | TITANIA | Physics - Materials Science
Journal Article
SURFACE SCIENCE, ISSN 0039-6028, 10/2014, Volume 628, pp. 98 - 103
Gold nanoparticles have been extensively studied for their catalytic activity both theoretically and experimentally. The moire pattern formed by graphene... 
PHYSICS, CONDENSED MATTER | SUPPORTED GOLD CATALYSTS | Nanoclusters | CHEMISTRY, PHYSICAL | Density functional calculations | TOTAL-ENERGY CALCULATIONS | ADSORPTION | CO OXIDATION | INITIO MOLECULAR-DYNAMICS | TRANSITION | HYDROGEN | GAS SHIFT REACTION | Graphene | DIFFUSION | METAL-CLUSTERS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2014, Volume 141, Issue 21, p. 214702
The nucleation and growth of Pt nanoparticles (NP's) on rutile TiO2 (110) surfaces with O on-top atoms (oxidized TiO2), surface O vacancies, and H adatoms,... 
OXYGEN | OXIDATION | SURFACE SCIENCE | REDUCTION STATE | OXIDE SURFACES | CLUSTERS | RESOLUTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ADSORPTION | CATALYSTS | TIO2 | Nanoparticles | Scanning tunneling microscopy | Nucleation | Vacancies | Data acquisition | Platinum | Surface defects | Rutile | Density functional theory | Titanium dioxide
Journal Article
PHYSICAL REVIEW LETTERS, ISSN 0031-9007, 06/2012, Volume 108, Issue 23, p. 236103
We have studied vicinal TiO2(110) surfaces by high-resolution scanning tunneling microscopy and density functional theory calculations. On TiO2 surfaces... 
VISUALIZATION | PHASE | OXIDE | PHYSICS, MULTIDISCIPLINARY | SURFACE-STRUCTURE | SITES | STATE | SCANNING-TUNNELING-MICROSCOPY | TIO2 | STEPS | WATER
Journal Article
BMC Evolutionary Biology, ISSN 1471-2148, 2007, Volume 7, Issue 1, pp. 56 - 56
Background: Army ants are the prime arthropod predators in tropical forests, with huge colonies and an evolutionary derived nomadic life style. Five of the six... 
EVOLUTIONARY BIOLOGY | HYMENOPTERA | DIVERSIFICATION | MITOCHONDRIAL | OLD | GENETICS & HEREDITY | PRIMERS | FORMICIDAE | DIVERGENCE | INFERENCE | UTILITY | CHARACTERS | Genetic Variation | Animals | Ants - genetics | Ants - classification | Feeding Behavior | Female | Male | Ecology | Phylogeny | Sequence Analysis, DNA | Evolution, Molecular | Evaluation | Usage | Ants | Research | Nucleotide sequencing
Journal Article
Journal Article
Advanced Synthesis & Catalysis, ISSN 1615-4150, 04/2016, Volume 358, Issue 9, pp. 1449 - 1462
The reaction of a platinum acetylide derived from a 1,2‐dialkynylarene with a phosphanegold(I) species delivered a σ‐platinum‐π‐gold coordination to the same... 
gold | ruthenium | acetylides | cyclization | vinylidenes | alkynes | ACTIVATION | MECHANISM | CHEMISTRY, ORGANIC | SWITCH | VINYLIDENE COMPLEXES | CHEMISTRY, APPLIED | Gold | Ruthenium | Platinum | Catalysis | Substrates | Ruthenium compounds | Carbonyls | Alkynes | Switches | Carbon | Bonding
Journal Article
PLoS ONE, ISSN 1932-6203, 06/2014, Volume 9, Issue 6, p. e98412
The Orussidae is a small and rare but phylogenetically important family of parasitoid wasps. The fossil record of the family is also very poor. Baltorussus... 
ORUSSIDAE INSECTA | PHYLOGENY | EVOLUTION | AMBER | MULTIDISCIPLINARY SCIENCES | WAIST | HYMENOPTERA INSECTA | TREE | FOSSILS | MORPHOLOGY | Female | Male | Wasps - physiology | Animals | Amber | Fossils | Phylogeny | Wasps | Parasitoids | Scanning | Biogeography | Museums | Cretaceous | Males | Habitus | Jurassic | Computed tomography | Microscopy | Morphology | Tomography | Phylogenetics | Evolution | Scanning transmission electron microscopy | Natural history | Baltic amber
Journal Article
BMC ANESTHESIOLOGY, ISSN 1471-2253, 08/2019, Volume 19, Issue 1, pp. 165 - 8
Journal Article
Journal of Zoological Systematics and Evolutionary Research, ISSN 0947-5745, 05/2008, Volume 46, Issue 2, pp. 118 - 132
Larval head structures of Xyela sp. are described in detail. The characters are compared to conditions found in larvae of other groups of Hymenoptera and... 
head morphology | Xyela | phylogeny | larvae | Hymenoptera | Endopterygota | Larvae | Head morphology | Phylogeny | MECOPTERA | CLASSIFICATION | INSECTA | LINEAGES | CHARACTERS | ANATOMY | EVOLUTIONARY BIOLOGY | ZOOLOGY | POLYPHAGA | COLEOPTERA | LEPIDOPTERA
Journal Article
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