Entropy and enthalpy calculations from the Perturbation and Integration Thermodynamics methods using molecular dynamics simulations: Applications to the calculation of hydration and association thermodynamic properties - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Molecular Physics Année : 2006

Entropy and enthalpy calculations from the Perturbation and Integration Thermodynamics methods using molecular dynamics simulations: Applications to the calculation of hydration and association thermodynamic properties

Aziz Ghoufi
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hal-00342612 , version 1 (27-11-2008)

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  • HAL Id : hal-00342612 , version 1

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Aziz Ghoufi, Patrice Malfreyt. Entropy and enthalpy calculations from the Perturbation and Integration Thermodynamics methods using molecular dynamics simulations: Applications to the calculation of hydration and association thermodynamic properties. Molecular Physics, 2006, 104, pp.2929-2943. ⟨hal-00342612⟩

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