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Showing 1 to 1 of 1 for “"MRMP"”.
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Multi-Configurational Investigation of Thermolytic Pathways of Highly Strained Ring Systems
… of TSdisB was found to be 39.7 kcal/mol at the MRMP/cc-pVTZ level of theory. The PES for ? bond rotation was explored in more detail for several trans pyrans and pyridines and also for trans cyclohexene and several of its functional isomers. The ground state geometries for each structure were …