【作者单位】a Department of Chemistry, Taiyuan Normal University, Taiyuan 030031, PR China b School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004, PR China
【年份】2015
【卷号】Vol.620
【页码】82-87
【ISSN】0009-2614
【摘要】 The reaction mechanism of linear butadiynyl radical C 4 H (C 1 C 2 C 3 C 4 H) with methanol (CH 3 OH) was studied at the CCSD(T)/aug-cc-pVTZ//BB1K/6-311+G(2d,2p) level. Six different hydrogen abstraction channels were considered, and methyl-H and hyd...
with CH3OH