Theoretical Investigation on Ammonia Clusters (NH3)n(n=2~8) With Graph Representation

• 作 者: MahmutjanJelil;AlimjanAbaydulla;
• 机 构: College of Chemistry & Environmental Science,Kashgar University 029,Xueyuan Road,Kashgar,Xinjiang 83
• 出 处: 中国化学会第30届学术年会
• 发表日期: 2016年期

　　I.Introduction A graph is a set of vertices and edges.ForAmmonia (NH3)n(n=2~8) clusters,each size of NH3clusteris represented by a graph.The graph in which arrows represent a direction of hydrogen bonds (H-B) is called directed graph.Here vertices correspond to NH3molecules,and arrows correspond to H-B from proton-donor to proton-acceptor (Fig.1).