Bhalachandra L Tembe
Articles written in Journal of Chemical Sciences
Volume 98 Issue 3 March 1987 pp 235-240 Rapid Communication
A molecular dynamics simulation is performed for a system of classical and nonclassical 2-norbornyl cations surrounded by a model solvent. Comparison of the energies of stabilization of the two ions due to the model solvent medium indicates that the difference in stabilization energies of the two ions is less than 1 kcal/mol.
Volume 99 Issue 1-2 August 1987 pp 129-135
The thermodynamics of polyatomic fluids is determined by the interactions between the polyatomic particles subject to the constraints imposed by the bonding within the polyatomic structure. One aspect of this work is the determination of the intermolecular potential function and the other is the calculation of multipoint correlation functions based on these potential functions. Trends in the calculation of these multipoint correlation functions are discussed and a semiempirical method of obtaining effective interactions is applied to the thermodynamics of fatty acid mixtures at the air/water interface.
Volume 134, 2022
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