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| Creator | Title | Description | Subject | Date | ||
|---|---|---|---|---|---|---|
| 1 |
 | Armentrout, Peter B. | Methane activation by cobalt cluster cations, Con+ (n=2-16): reaction mechanisms and thermochemistry of cluster-CHx (x=0-3) complexes | The kinetic energy dependences of the reactions of Con + (n=2-16) with CD4 are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-10 eV. The main products are hydride formation, ConD+, dehydrogenation to form ConCD2 +, and double dehydrogenation yielding ConC+. | Cobalt ions; Transition metal ions; Bond energies; Endothermic reactions; Dehydrogenation; Deuterated methane | 2009 |
| 2 |
 | Bedrov, Dmitro | Molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure | Isothermal compression of poly (dimethylsiloxane), 1,4-poly(butadiene), and a model Estane® (in both pure form and a nitroplasticized composition similar to PBX-9501 binder) at pressures up to 100 kbars has been studied using atomistic molecular dynamics (MD) simulations. Comparison of predicted co... | 2009 |
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