Publications of J. Zheng

Zheng, J.; Wang, D.; Thiel, W.; Shaik, S.: QM/MM study of mechanisms for compound I formation in the catalytic cycle of cytochrome P450_cam. Journal of the American Chemical Society 128, pp. 13204 - 13215 (2006)

Kumar, D.; Hirao, H.; de Visser, S. P.; Zheng, J.; Wang, D.; Thiel, W.; Shaik, S.: New features in the catalytic cycle of cytochrome P450 during the formation of compound I from compound 0. Journal of Physical Chemistry B 109 (42), pp. 19946 - 19951 (2005)

Yurchenko, S. N.; Carvajal, M.; Lin, H.; Zheng, J.; Thiel, W.; Jensen, P.: Dipole moment and rovibrational intensities in the electronic ground state of NH₃: Bridging the gap between ab initio theory and spectroscopic experiment. Journal of Chemical Physics 122 (10), 104317 (2005)

Yurchenko, S. N.; Zheng, J.; Thiel, W.; Carvajal, M.; Lin, H.; Jensen, P.: Theoretical quantitative spectroscopy: Computer simulation of molecular spectra. In: Remote Sensing of the Atmosphere for Environmental Security, pp. 171 - 183 (Ed. Perrin, A.). Springer, Dordrecht (2006)