Prediction of optical rotation using density functional theory: 6,8-dioxabicyclo[3.2.1]octanes
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Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Catalysis
Reference12 articles.
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2. (a) Frisch, M. J.; Trucks, G. W.; Cheeseman, J. R. In Recent Developments and Applications of Modern Density Functional Theory; Seminario, J. M., Ed. Theoretical and computational chemistry. Elsevier Science: CITY??, 1996; Vol. 4, 679–707; (b) Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502; (c) Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A. J. Chem. Phys. 1997, 106, 1063; (d) Halls, M. D.; Schlegel, H. B. J. Chem. Phys. 1998, 109, 10587; (e) Halls, M. D.; Schlegel, H. B. J. Chem. Phys. 1999, 111, 8819; (f) Cheeseman, J. R.; Frisch, M. J.; Devlin F. J.; Stephens, P. J. Chem. Phys. Lett. 1996, 252, 211.
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