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High-Level Coupled-Cluster Characterization of Ethynyl Radical Reactions and Other Small Challenging Molecules

机译：高液耦合簇表征乙炔基根象反应和其他小挑战分子

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作者
Bowman, Michael Charles.;
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作者单位

University of Georgia.;

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授予单位 University of Georgia.;
学科
学位 Ph.D.
年度 2020
页码 216 p.
总页数 216
原文格式 PDF
正文语种 eng
中图分类 AAI27830604;
关键词
Basis set extrapolation; Calcium hydride; Coupled-cluster theory; Ethynyl radical; Focal point analysis; Methyl anion;

机译：基础集外推拉;氢化钙;耦合集群理论;乙炔基。焦点分析;甲基阴离子;

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High-Level Coupled-Cluster Characterization of Ethynyl Radical Reactions and Other Small Challenging Molecules

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