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Geometrical, energetic and electronic properties of Aun-（C3H6O）m complexes （n= 3, 5, m ≤ n）： A density functional theory study
  • ISSN号：1674-1056
  • 期刊名称：《中国物理B：英文版》
  • 时间：0
  • 分类：O641.121[理学—物理化学;理学—化学] O641.4[理学—物理化学;理学—化学]
  • 作者机构：[1]School of Physics, Ludong University, Yantai 264011, China
  • 相关基金：Project supported by the National Natural Science Foundation of China （Grant Nos. 10674114 and 10974078）.
作者： 李迎春[1], 杨传路[1], 孙美玉[1], 李晓霞[1], 安义鹏[1], 王美山[1]
关键词： 密度泛函理论, 几何构型, 金团簇, 复合物, 电子性质, 活力, 广义梯度近似, 相互作用, acetone molecule, gold cluster, complex, adsorption
中文摘要：

Corresponding author. E-mail： yangchuanlu@263.net

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期刊信息
  • 《中国物理B：英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编：欧阳钟灿
  • 地址：北京 中关村 中国科学院物理研究所内
  • 邮编：100080
  • 邮箱：
  • 电话：010-82649026 82649519
  • 国际标准刊号：ISSN：1674-1056
  • 国内统一刊号：ISSN：11-5639/O4
  • 邮发代号:
  • 获奖情况:
  • 国内外数据库收录:
  • 被引量:406