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Monte-Carlo Simulations of Alkanes in Water: Hydration Numbers and the Hydrophobic Effect, , and . J. Phys. Chem., (1985)Energy difference between the classical and the nonclassical 2- norbornyl cation in solution - a combined ab-initio monte-carlo aqueous-solution study, , , , and . J. Am. Chem. Soc., 117 (9): 2663--2664 (1995)Monte-Carlo simulation of differences in free energies of hydration, and . J. Chem. Phys., (1985)Optimized Intermolecular Potential Functions for Liquid Hydrocarbons, , and . J. Am. Chem. Soc., (1984)Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents from QM/MM Simulations, and . J. Org. Chem., (May 2006)A quantum mechanical and molecular mechanical method based on CM1A charges: Applications to solvent effects on organic equilibria and reactions, and . JOURNAL OF PHYSICAL CHEMISTRY B, 102 (10): 1787--1796 (1998)Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids, , and . J. Am. Chem. Soc., (1996)A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions, and . J. Chem. Phys., (2000)The OPLS Force Field for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin, and . J. Am. Chem. Soc., (1988)Macrophomate synthase: QM/MM simulations address the Diels-Alder versus Michael-Aldol reaction mechanism, , and . JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127 (10): 3577--3588 (2005)