Shengfa Ye

Shengfa Ye

Dalian Institute of Chemical Physics, Chines Academy of Sciences - / China
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4994281
person_outline Shengfa Ye's MOST POPULAR ARTICLES
1-) Nonheme oxo-iron (IV) intermediates form an oxyl radical upon approaching the C–H bond activation transition state S Ye, F Neese Proceedings of the National Academy of Sciences 108 (4), 1228-1233, 2011 2562011
2-) Accurate modeling of spin-state energetics in spin-crossover systems with modern density functional theory S Ye, F Neese Inorganic chemistry 49 (3), 772-774, 2010 2272010
3-) Calibration of modern density functional theory methods for the prediction of 57Fe Mössbauer isomer shifts: meta-GGA and double-hybrid functionals M Römelt, S Ye, F Neese Inorganic chemistry 48 (3), 784-785, 2009 2202009
4-) Spectroscopic and computational evaluation of the structure of the high-spin Fe (IV)-oxo intermediates in taurine: α-ketoglutarate dioxygenase from Escherichia coli and its …S Sinnecker, N Svensen, EW Barr, S Ye, JM Bollinger Jr, F Neese, ...Journal of the American Chemical Society 129 (19), 6168-6179, 20072412007
5-) Analysis of reaction channels for alkane hydroxylation by nonheme iron (IV)–oxo complexesC Geng, S Ye, F NeeseAngewandte Chemie International Edition 49 (33), 5717-5720, 20102382010