Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

Journal of Chemical Theory and Computation - Tập 8 Số 1 - Trang 61-74 - 2012
Carl Caleman1, Paul J. van Maaren2, Minyan Hong2, Jochen S. Hub2, Luciano T. Costa3, David van der Spoel2
1Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron Notkestraße 85, DE-22607 Hamburg, Germany
2Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden.
3Departamento de Ciências Exatas, Federal University of Alfenas—MG Rua Gabriel Monteiro da Silva, 700 Alfenas—MG CEP:37130-000, Brazil

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