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| Creator | Title | Description | Subject | Date | ||
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Miller, Joel Steven | Crystal engineering or crystal mysticism? A case study | The de novo design and synthesis of a crystalline motif of a substance is a holy grail for a growing number of organic and inorganic synthetic chemists. Achievement of targeted architectural arrangements is less reliable as the complexity increases. Simple substitution of, for example, alkyl penda... | Synthesis, Structure, Chemistry | 2005 |
| 2 |
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Armentrout, Peter B. | Guided ion-beam studies of the kinetic-energy-dependent reactions of Con+ (n=2-16) with D2: cobalt cluster-deuteride bond energies | The kinetic-energy-dependent cross sections for the reactions of Con + (n=2-16) with D2 are measured as a function of kinetic energy over a range of 0-8 eV in a guided ion-beam tandem mass spectrometer. The observed products are ConD+ for all clusters and ConD2+ for n=4,5,9-16. | Cobalt ions; Metal clusters; Deuteride; Collision-induced dissociation; Endothermic reactions; Bond energies | 2005 |
| 3 |
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Armentrout, Peter B. | Guided ion-beam studies of the reactions of Con + (n=2-20) with O2: cobalt cluster-oxide and -dioxide bond energies | The kinetic-energy dependence for the reactions of Con + (n=2-20) with O2 is measured as a function of kinetic energy over a range of 0 to 10 eV in a guided ion-beam tandem mass spectrometer. A variety of Com+ , ComO+, and ComO2 + (m<n) product ions is observed, with the dioxide cluster ions domina... | Metal clusters; Cobalt ions; Collision-induced dissociation; Bond energies; Exothermic reactions; Endothermic reactions | 2005 |
| 4 |
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Voth, Gregory Alan | Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation | A recently developed multiscale coarse-graining procedure [Izvekov, S.; Voth, G. A. J. Phys. Chem. B 2005, 109, 2469] is extended to derive coarse-grained models for nanoparticles. The methodology is applied to C60 and to carbonaceous nanoparticles produced in combustion environments. The coarse-gra... | Systematic coarse-graining; Multiscale coarse-graining | 2005 |
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