中国科学院机构知识库网格系统: 检索

浏览/检索结果: 共4条，第1-4条

帮助

条数/页：排序方式：
	Interpreting main features of the differential absorbance spectra of chlorinated natural organic matter: Comparison of the experimental and theoretical spectra of model compounds 期刊论文 OAI收割 WATER RESEARCH, 2020, 卷号: 185, 页码: 1-12 作者: Chen, Bingya; Zhang, Chenyang; Zhao, Yanmei; Wang, Dongsheng; Korshin, Gregory, V \| 收藏 \| 浏览/下载：27/0 \| 提交时间：2021/09/14 Chlorination Differential absorbance spectra Disinfection byproducts Electronic transition Natural organic matter Frontier molecular orbital theory
	Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study 期刊论文 OAI收割 JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2017, 卷号: 27, 页码: 923-933 作者: Zhang, Hang; Zhou, Can-Hua; Liu, Dong; Li, Guang-Yue \| 收藏 \| 浏览/下载：18/0 \| 提交时间：2017/10/29 Coordination Polymer Ligand-to-ligand Charge Transfer Density Functional Theory Frontier Molecular Orbital Fluorescence
	A Density Functional Theory Investigation for the Open-Shell Metal-Carbide Endofullerene Lu3C2@C-88(D-2:35) and Closed-Shell Metal-Nitride Endofullerene Lu3N@C-88(D-2:35) 期刊论文 OAI收割 JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2012, 卷号: 12, 期号: 3, 页码: 2254-2260 作者: Wu, Jing-Yi; Xu, Wei; Wang, Tai-Shan; Jiang, Li; Shu, Chun-Ying \| 收藏 \| 浏览/下载：16/0 \| 提交时间：2019/04/09 Metallofullerene Electronic Structures Redox Vibrational Frequencies Density Functional Theory Frontier Molecular Orbital
	Theoretical Study of 1,3-Dipolar Cycloaddition of Hydrazoic Acid to Substituted Ynamines 期刊论文 OAI收割 chinese journal of chemical physics, 2009, 卷号: 22, 期号: 2, 页码: 143-148 作者: Chen, Xiao-fang; Yang, Kun; Han, Ke-li 收藏 \| 浏览/下载：19/0 \| 提交时间：2015/11/12 1 Hydrazoic acid Internal alkyne CBS-QB3 Solvent effect Substituent effect Frontier molecular orbital theory 3-dipolar cycloaddition