Authors: Bowman, JM Irle, S Morokuma, K Wodtke, A

Citation: Jm. Bowman et al., Dipole moments of highly vibrationally excited HCN: Theoretical predictionof an experimental diagnostic for delocalized states, J CHEM PHYS, 114(18), 2001, pp. 7923-7934

Authors: Irle, S Morokuma, K

Citation: S. Irle et K. Morokuma, Ab initio investigation of the potential energy profiles for the gas phaseCH4+O-2(+)((2)Pi(g)) reaction system, J CHEM PHYS, 114(14), 2001, pp. 6119-6127

Authors: Irle, S Bowman, JM

Citation: S. Irle et Jm. Bowman, Direct ab initio variational calculation of vibrational energies of the H2O center dot Cl- complex and resolution of experimental differences, J CHEM PHYS, 113(19), 2000, pp. 8401-8403

Authors: Irle, S Morokuma, K

Citation: S. Irle et K. Morokuma, A molecular orbital study on H and H-2 elimination pathways from methane, ethane, and propane, J CHEM PHYS, 113(15), 2000, pp. 6139-6148

Authors: Irle, S Morokuma, K

Citation: S. Irle et K. Morokuma, Ab initio and density functional study on the mechanism of the C2H2++methanol reaction, J CHEM PHYS, 111(9), 1999, pp. 3978-3988

Authors: Rohde, V Irle, S Hassler, WE

Citation: V. Rohde et al., Prediction of the post-comatose motor function by motor evoked potentials obtained in the acute phase of traumatic and non-traumatic coma, ACT NEUROCH, 141(8), 1999, pp. 841-848