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ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 25. SOLVATION AND CONFORMATION OF METHANOL IN WATER
William L. Jorgensen, Jeffry D. Madura (1983). ChemInform Abstract: QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS. 25. SOLVATION AND CONFORMATION OF METHANOL IN WATER. Chemischer Informationsdienst, 14(38), DOI: 10.1002/chin.198338076.
Article148 days agoComparison of simple potential functions for simulating liquid water
William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger Impey, Michael L. Klein (1983). Comparison of simple potential functions for simulating liquid water. The Journal of Chemical Physics, 79(2), pp. 926-935, DOI: 10.1063/1.445869.
Article148 days agoTemperature and size dependence for Monte Carlo simulations of TIP4P water
William L. Jorgensen, Jeffry D. Madura (1985). Temperature and size dependence for Monte Carlo simulations of TIP4P water. Molecular Physics, 56(6), pp. 1381-1392, DOI: 10.1080/00268978500103111.
Article148 days agoQuantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water
William L. Jorgensen, Jeffry D. Madura (1983). Quantum and statistical mechanical studies of liquids. 25. Solvation and conformation of methanol in water. Journal of the American Chemical Society, 105(6), pp. 1407-1413, DOI: 10.1021/ja00344a001.
Article148 days agoAb initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution
Jeffry D. Madura, William L. Jorgensen (1986). Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution. Journal of the American Chemical Society, 108(10), pp. 2517-2527, DOI: 10.1021/ja00270a005.
Article148 days ago