Parallel-tempering Monte Carlo simulations are used to characterize the finite temperature behavior of the (H2O)n = 6-9 clusters. The heat capacities, quenched energy distributions, and Landau free energies are calculated and used to address the nature of the structural transformations that occur with increasing temperature
In this thesis, improved sampling algorithms are applied to atomic and molecular clusters. The paral...
In this thesis, improved sampling algorithms are applied to atomic and molecular clusters. The paral...
We present a new model for characterizing the interactions of excess electrons with (H2O)n- clusters...
Parallel-tempering Monte Carlo simulations are used to characterize the finite temperature behavior ...
A theoretical study was performed on water clusters. Parallel-tempering Monte Carlo simulations were...
The finite temperature behavior of H+(H2O)6 and H+(H2O)8 was investigated. The parallel tempering Mo...
The classical thermodynamic properties of water clusters modeled by the TIP4P potential with and wit...
The finite temperature behavior of H+(H2O)6 and H+(H2O)8 is investigated by means of parallel temper...
The classical thermodynamic properties of water clusters modeled by the TIP4P potential with and wit...
The finite temperature behavior of H+(H2O)6 and H+(H2O)8 is investigated by means of parallel temper...
The Monte Carlo method is used to calculate, for several commonly employed model water potentials, t...
The Monte Carlo method is used to calculate, for several commonly employed model water potentials, t...
Thermal properties and structures of the water cluster containing fifteen molecules, either pure or ...
We present a new model for characterizing the interactions of excess electrons with (H2O)n- clusters...
The Monte Carlo method is used to calculate, for several commonly employed model water potentials, t...
In this thesis, improved sampling algorithms are applied to atomic and molecular clusters. The paral...
In this thesis, improved sampling algorithms are applied to atomic and molecular clusters. The paral...
We present a new model for characterizing the interactions of excess electrons with (H2O)n- clusters...
Parallel-tempering Monte Carlo simulations are used to characterize the finite temperature behavior ...
A theoretical study was performed on water clusters. Parallel-tempering Monte Carlo simulations were...
The finite temperature behavior of H+(H2O)6 and H+(H2O)8 was investigated. The parallel tempering Mo...
The classical thermodynamic properties of water clusters modeled by the TIP4P potential with and wit...
The finite temperature behavior of H+(H2O)6 and H+(H2O)8 is investigated by means of parallel temper...
The classical thermodynamic properties of water clusters modeled by the TIP4P potential with and wit...
The finite temperature behavior of H+(H2O)6 and H+(H2O)8 is investigated by means of parallel temper...
The Monte Carlo method is used to calculate, for several commonly employed model water potentials, t...
The Monte Carlo method is used to calculate, for several commonly employed model water potentials, t...
Thermal properties and structures of the water cluster containing fifteen molecules, either pure or ...
We present a new model for characterizing the interactions of excess electrons with (H2O)n- clusters...
The Monte Carlo method is used to calculate, for several commonly employed model water potentials, t...
In this thesis, improved sampling algorithms are applied to atomic and molecular clusters. The paral...
In this thesis, improved sampling algorithms are applied to atomic and molecular clusters. The paral...
We present a new model for characterizing the interactions of excess electrons with (H2O)n- clusters...
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