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[会议论文] 作者：Shuying Kang,Jiguang Du,Gang Jiang,
来源：第五届全国计算原子与分子物理学术会议 年份：2014
We employ ab initio calculations with PBEsol method to carry out the properties of the adsorption of CO on Pd(100)under an external electric field.The adsor...
[会议论文] 作者：Jiangjiang Ma,Jiguang Du,Gang Jiang,
来源：第五届全国计算原子与分子物理学术会议 年份：2014
The molecular dynamics method combined with simulated annealing technique was performed to investigate the structures and size-dependent melting of gold nan...
[会议论文] 作者：Jiguang Du,Xiyuan Sun,Li Zhang,Jun Chen,Gang Jiang,
来源：第五届全国计算原子与分子物理学术会议 年份：2014
The speciation and mobility of actinide complexes in the environment depend strongly on ligand concentration.It is therefore important to understand the str...
[会议论文] 作者：Shuying Kang,Yufeng Gao,Fangguang Kuang,Tao Gao,Jiguang Du,Gang Jiang,
来源：第十八届全国原子与分子物理学术会议 年份：2015
A theoretical investigation on the feasibility of laser cooling 24Mg19F molecule is performed by employing ab initio calculations.The low-lying electronic states are determined by the multi-reference...
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