A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computational Methods: The Performance of ab Initio, Density Functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries
暂无分享,去创建一个
Andrew G. Leach | K. Houk | V. Güner | Kelli S. Khuong | A. Leach | Patrick S. Lee | M. Bartberger | Patrick S Lee | M. D. Bartberger