Jaguar

Rapid ab initio electronic structure package

Below are selected publications from 2001; please check here to cite the use of Jaguar

  •   ö  Gherman, B. F.; Dunietz, B. D.; Whittington, D. A.; Lippard, S. J.; Friesner, R. A., "Activation of the C-H bond of methane by intermediate Q of methane monoozygenase: A theoretical study," J. Am. Chem. Soc., 2001, 123, 3836–3837
  •   ö  Friesner, R. A.; Dunietz, B. D., "Large Scale Ab Initio Quantum Chemical Calculations on Biological Systems," Accounts of Chemical Research, 2001, 34, 351–358
  •   Yang, H.; Snee, P. T.; Kotz, K. T.; Payne, C. K.; Harris, C. B., "Femtosecond Infrared Study of the Dynamics of Solvation and Solvent Caging," J. Am. Chem. Soc., 2001, 123, 4204
  •   Snee, P. T.; Payne, C. K.; Kotz, K. T.; Yang, H.; Harris, C. B., "High Spin Reactivity Under Ambient Conditions: An Ultrafast UV-Pump IR-Probe Study," J. Am. Chem. Soc., 2001, 123, 2255–2264
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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