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[会议论文] 作者：R.Ramozzi,K.Morokuma,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
In a context of rising environmental concerns,multicomponent reactions have been widely investigated during the past decades.Among these reactions,isocyanide based multicomponent reactions(IMCRs) are...
An ab initio study of the potential energy surfaces of hydrocarbons in hot combustion conditions and
[会议论文] 作者：A.Jamal,K.Morokuma,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Potential Energy Surfaces(PES) of reactions of hydrocarbons relevant to combustion conditions and interstellar conditions were investigated using the automatic reaction route search method,the Global...
Heavy-atom tunneling in automerization of cyclobutadienevariation transition state theory and high-l
[会议论文] 作者：L.W.Chung,D.A.Hrovat,W.T.Borden,K.Morokuma,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Quantum(mechanical) tunneling plays an important role in enhanced reactivity of some organic and enzymatic reactions....
Heavy-atom tunneling in automerization of cyclobutadiene:variation transition state theory and high-
[会议论文] 作者：L.W.Chung,W.T.Borden,D.A.Hrovat,K.Morokuma,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
[期刊论文] 作者：郑世钧,S.Yabushita,K.Morokuma,
来源：化学物理学报 年份：1989
利用MCSCF(MC9/12),双ζ极化基组(DZP)计算了ClCN分子线型离解过程基态~1∑~+及激发态~1∏_(1),~1∏_(2)、~1∑~-、~1△、~1∑~+等和弯曲构型离解过程激发态~1A″,~1A″等的...
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