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 2006, 128, 13204–13215.

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 2005, 109, 19946–19951.

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 2005, 122, 104317.

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; Perrin, A., Ed.; Perrin, A., Series ed.; Springer: Dordrecht, 2006; pp 171–183.