Below are selected publications from 2010; please check here to cite the use of Jaguar
- • Wang, T.; Brudvig, G.; Batista, V. S., "Characterization of Proton Coupled Electron Transfer in a Biomimetic Oxomanganese Complex: Evaluation of the DFT B3LYP Level of Theory," J. Chem. Theory Comput., 2010, 6, 755–760
- • Georgiev, V.; Noack, H.; Borowski, T.; Blomberg, M.R.A.; Siegbahn, P.E.M., "DFT Study on the Catalytic Reactivity of a Functional Model Complex for Intradiol-Cleaving Dioxygenases," J. Phys. Chem. B, 2010, 114, 5878–5885
- • King, H. D.; Meng, Z.; Deskus, J. A.; Sloan, C. P., Gao, Q.; Beno B.R.; Kozlowski, E.S.; LaPaglia, M.A.; Mattson, G.K.; Molski, T.F.; Taber, M.T.; Lodge, N.J.; Mattson, R.J.; Macor J.E., "Conformationally Restricted Homotryptamines. Part 7: 3-cis-(3-Aminocyclopentyl)indoles As Potent Selective Serotonin Reuptake Inhibitors," J. Med. Chem., 2010, 53, 7564–7572
- • ö Bochevarov, A.D.; Friesner, R.A.; Lippard, S.J., "Prediction of 57 Fe Mössbauer Parameters by Density Functional Theory: A Benchmark Study," J. Chem. Theory Comput., 2010, 6, 3735–3749
- • Farber, E.; Herget, J.; Gascón, J. A.; Howell, A.R., "Unexpected Cleavage of 2-Azido-2-(hydroxymethyl)oxetanes: Conformation Determines Reaction Pathway? ," J. Org. Chem., 2010, 75, 7565–7572
- • Kendrick, I.; Kumari, D.; Yakaboski, A.; Dimakis, D.; Smotkin, E.S., "Elucidating the Ionomer-Electrified Metal Interface," J. Am. Chem. Soc., 2010, 132, 17611–17616
- ö indicates papers (co)authored by Schrödinger scientist(s).