Refinement and Parametrization of COSMO-RS

Cramer C. J., 1995, Reviews in Computational Chemistry, 6, 10.1002/9780470125830.ch1

Tomasi J., 1994, Chem. Rev., 94, 2027, 10.1021/cr00031a013

Miertus S., 1981, Chem. Phys., 55, 117, 10.1016/0301-0104(81)85090-2

Klamt A., 1993, J. Chem. Soc., Perkin Trans. 2, 799, 10.1039/P29930000799

Giesen D. J., 1996, J. Org. Chem., 61, 8720, 10.1021/jo9617427

King G., 1990, J. Chem. Phys., 93, 8682, 10.1063/1.459255

Åquist J., 1996, J. Phys. Chem., 100, 9512, 10.1021/jp953640a

Marten B., 1996, J. Phys. Chem., 100, 11775, 10.1021/jp953087x

Klamt A., 1995, J. Phys. Chem., 99, 2224, 10.1021/j100007a062

Fredenslund A., 1977, Vapor Liquid Equilibria Using UNIFAC

Delley B., 1990, J. Chem. Phys., 92, 508, 10.1063/1.458452

Mol, 1995, Biosym Technologies

Stewart J. J. P., 1990, J. Comput.-Aided Mol. Des., 4

Stewart J. J. P., 1993, QCPE-No. 455

Andzelm J., 1995, J. Chem. Phys., 103, 9312, 10.1063/1.469990

Klamt A., 1996, J. Chem. Phys., 92, 9972, 10.1063/1.472829

Dewar M. J. S., 1985, J. Am. Chem. Soc., 107, 3902, 10.1021/ja00299a024

Vosko S. H., 1980, Can. J. Phys., 58, 1200, 10.1139/p80-159

Becke A. D., 1988, Phys. Rev. A, 38, 3098, 10.1103/PhysRevA.38.3098

Perdew J. P., 1992, Phys. Rev. B, 45, 13244, 10.1103/PhysRevB.45.13244

Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A.Gaussian 94, Revision D.4; Gaussian, Inc.  Pittsburgh, PA, 1995.

Perdew J. P., 1986, Phys. Rev. B, 33, 8822, 10.1103/PhysRevB.33.8822

Schäfer A., 1994, J. Chem. Phys., 100, 5829, 10.1063/1.467146

Lee C., 1988, Phys. Rev. B, 37, 785, 10.1103/PhysRevB.37.785

Becke A. D., 1993, J. Chem. Phys., 98, 5648, 10.1063/1.464913

Thor Database, 1991, CA

Lide D. R., 1994, Handbook of Chemistry and Physics

Lax E., 1967, Band I

Meylan W., 1997, Private communication

Baldridge K., 1997, J. Chem. Phys., 106, 6622, 10.1063/1.473662

Morgantini P.-Y., 1995, J. Am. Chem. Soc., 117, 6057, 10.1021/ja00127a019