Creator | Title | Description | Subject | Date | ||
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1 |
![]() | Bedrov, Dmitro; Smith, Grant D. | Equilibrium sampling of self-associating polymer solutions: a parallel selective tempering approach | We present a novel simulation algorithm based on tempering a fraction of relaxation-limiting interactions to accelerate the process of obtaining uncorrelated equilibrium configurations of self-associating polymer solutions. This approach consists of tempering (turning off) the attractive interactio... | Equilibrium sampling; Self-associating systems; Parallel selective tempering | 2005 |
2 |
![]() | 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 |
![]() | 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 |