Below are selected publications from 2002; please check here to cite the use of Jaguar

• •  ö  Klicic, J. J. ; Friesner, R. A.; Liu, S. Y.; Guida, W. C., "Accurate prediction of acidity constants in aqueous solution via density functional theory and self-consistent reaction field methods," J. Phys. Chem. A, 2002, 106, 1327–1335
• •  ö  Guallar, V.; Gherman, B. F.; Miller, W. H.; Lippard, S. J.; Friesner, R.A., "Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase," J. Am. Chem. Soc., 2002, 124, 3377–3384
• •  ö  Baik, M. H.; Friesner, R. A., "Computing redox potentials in solution: Density functional theory as a tool for rational design of redox agents," J. Phys. Chem. A, 2002, 106, 7407–7412
• •  ö  Crystal, J.; Zhang, L. Y.; Friesner, R. A.; Flynn, G., "Computational Modeling for Scanning Tunneling Microscopy of Physisorbed Molecules via Ab Initio Quantum Chemistry," J. Phys. Chem. A, 2002, 106, 1802–1814
• •  ö  Kaminski, G. A.; Stern, H. A.; Berne, B. J.; Friesner, R. A.; Cao, Y. X.; Murphy, R. B.; Zhou, R.; Halgren, T. A., "Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests," J. Comput. Chem., 2002, 23, 1515–1531
• •  ö  Baik, M.; Crystal, J. B.; Friesner, R. A., "Ab Initio Quantum Calculation of the Diabatic Coupling Matrix Elemetns for the Self-Exchange Redox Couples M(Cp)2 0/+(M=Fe, Co; Cp=C5H5)," Inorg. Chem., 2002, 41, 5926–5927
• •  ö  Tony, H.; Baik, M.; Bridgewater, B. M.; Shin, J. H.; Churchill, D. G.; Friesner, R. A.; Parkin, G. F., "A non-classical hydrogen bond in the molybdenum arene complex [η6-C6H5C6H3(Ph)OH]Mo(PMe3)3: evidence that hydrogen bonding facilitates oxidative addition of the O–H bond," Chemical Communications, (British Royal Society), 2002, 22, 2644–2645

• ö indicates papers (co)authored by Schrödinger scientist(s).