The Experts below are selected from a list of 2355 Experts worldwide ranked by ideXlab platform
Jeffrey R Reimers - One of the best experts on this subject based on the ideXlab platform.
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enthalpy of hydration and partial Molar Specific Volume as criteria for evaluation of intermolecular potentials npt ensemble monte carlo calculations for dilute neon in water
Chemical Physics Letters, 1993Co-Authors: J Zeng, Noel S Hush, Jeffrey R ReimersAbstract:Abstract NPT-ensemble Monte Carlo simulations on dilute aqueous solutions of neon are performed using a number of different intermolecular potentials. The enthalpy of hydration and the partial Molar Specific Volume are shown to be more sensitive to the details of the interaction potential that is the free energy. The importance of the use of a wide range of thermodynamic data in discriminating between potential surfaces is stressed. Our results differ from those obtained previously for the MCY potential using the NVT ensemble, verifying that properties are insensitive to the water—water potential used.
J Zeng - One of the best experts on this subject based on the ideXlab platform.
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enthalpy of hydration and partial Molar Specific Volume as criteria for evaluation of intermolecular potentials npt ensemble monte carlo calculations for dilute neon in water
Chemical Physics Letters, 1993Co-Authors: J Zeng, Noel S Hush, Jeffrey R ReimersAbstract:Abstract NPT-ensemble Monte Carlo simulations on dilute aqueous solutions of neon are performed using a number of different intermolecular potentials. The enthalpy of hydration and the partial Molar Specific Volume are shown to be more sensitive to the details of the interaction potential that is the free energy. The importance of the use of a wide range of thermodynamic data in discriminating between potential surfaces is stressed. Our results differ from those obtained previously for the MCY potential using the NVT ensemble, verifying that properties are insensitive to the water—water potential used.
Noel S Hush - One of the best experts on this subject based on the ideXlab platform.
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enthalpy of hydration and partial Molar Specific Volume as criteria for evaluation of intermolecular potentials npt ensemble monte carlo calculations for dilute neon in water
Chemical Physics Letters, 1993Co-Authors: J Zeng, Noel S Hush, Jeffrey R ReimersAbstract:Abstract NPT-ensemble Monte Carlo simulations on dilute aqueous solutions of neon are performed using a number of different intermolecular potentials. The enthalpy of hydration and the partial Molar Specific Volume are shown to be more sensitive to the details of the interaction potential that is the free energy. The importance of the use of a wide range of thermodynamic data in discriminating between potential surfaces is stressed. Our results differ from those obtained previously for the MCY potential using the NVT ensemble, verifying that properties are insensitive to the water—water potential used.