Below are selected publications from 2011; please check here to cite the use of Jaguar
- • Ghosh, K.; Sen, T., "(rac)-1,1'-binaphthyl-based simple receptors designed for fluorometric discrimination of maleic and fumaric acids," J. Phys. Chem. B, 2011, 115, 8597-608
- • ö Hughes, T.F.; Friesner, R.A., "Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theory," J. Phys. Chem. B, 2011, 115, 9280-9
- • Klaić, L.; Trippier, P.C.; Mishra R. K.; Morimoto, R.I.; Silverman, R.B., "Remarkable Stereospecific Conjugate Additions to the Hsp90 Inhibitor Celastrol," J. Am. Chem. Soc., 2011, 133, 19634–19637
- • Yu, T. H.; Sha, Y.; Liu, W.-G.; Merinov, B.V.; Shirvanian, P.; Goddard, W.A., "Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations," J. Am. Chem. Soc., 2011, 133, 19857–19863
- • Bryantsev, V.S.; Giordani, V.; Walker, W.; Blanco, M.; Zecevic, S.; Sasaki, K.; Uddin, J.; Addison, D.; Chase, G.V., "Predicting Solvent Stability in Aprotic Electrolyte –Air Batteries: Nucleophilic Substitution by the Superoxide Anion Radical (O2•–)," J. Phys. Chem. A, 2011, 115, 12399–12409
- • Naredla, R. R.; Zheng, C.; Nilsson Lill, S.O.; Klumpp, D. A., "Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles," J. Am. Chem. Soc., 2011, 133, 13169–13175
- ö indicates papers (co)authored by Schrödinger scientist(s).