Browsing School of Chemistry by Subject "BASIS-SETS"
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Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons
(Royal Society of Chemistry, 2020-11-03)The hindered internal rotors of 32 transition states (TSs) formed through four free radicals, namely methyl, vinyl, ethyl, methoxy (CH3, C2H3, C2H5, CH3) additions to acetylene, ethylene, allene, propyne, and propene ...