机构

• 新疆理化技术研究所 [2]
• 理论物理研究所 [1]
• 化学研究所 [1]
• 大连化学物理研究所 [1]
• 长春应用化学研究所 [1]

采集方式

• OAI收割 [6]

内容类型

• 期刊论文 [6]

发表日期

• 2017 [1]
• 2015 [1]
• 2014 [2]
• 2011 [1]
• 1998 [1]

学科主题

• Physics [1]

筛选

浏览/检索结果: 共6条，第1-6条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)(3) (M = K, Rb, Cs) 期刊论文  OAI收割 JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 卷号: 690, 期号: 1, 页码: 330-336 作者:  Abudoureheman, M (Abudoureheman, Maierhaba);  Han, SJ (Han, Shujuan);  Dong, XY (Dong, Xiaoyu);  Lei, BH (Lei, Bing-Hua);  Wang, Y (Wang, Ying)   |  收藏  |  浏览/下载：27/0  |  提交时间：2017/09/26 Apatite-type Phosphates  Borates  Substitution  Dft Methods   The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M = Sr, Ba, and Pb) 期刊论文  OAI收割 CHEMICAL PHYSICS, 2015, 卷号: 453, 页码: 42-46 作者:  Jing, Q (Jing, Qun);  Dong, XY (Dong, Xiaoyu);  Chen, XL (Chen, Xinglong);  Yang, ZH (Yang, Zhihua);  Pan, SL (Pan, Shilie) 收藏  |  浏览/下载：24/0  |  提交时间：2017/09/15 Birefringence and SHG response  DFT methods  Lone-pairs electrons   Modulation of the 4-aminophthalimide spectral properties by hydrogen bonds in water 期刊论文  OAI收割 spectrochimica acta part a-molecular and biomolecular spectroscopy, 2014, 卷号: 131, 页码: 214-224 作者:  Yang, Dapeng;  Zhang, Yan 收藏  |  浏览/下载：26/0  |  提交时间：2015/11/13 DFT and TD-DFT methods  Absorption and fluorescence spectra  Hydrogen bonds of different types and numbers  Modulation of spectral properties   AIM and NBO analyses on hydrogen bonds formation in sugar-based surfactants (alpha/beta-d-mannose and n-octyl-alpha/beta-d-mannopyranoside): a density functional theory study 期刊论文  OAI收割 LIQUID CRYSTALS, 2014, 卷号: 41, 期号: 6, 页码: 784-792 Kotena, ZM; Behjatmanesh-Ardakani, R; Hashim, R 收藏  |  浏览/下载：253/0  |  提交时间：2015/06/03 MOLECULAR-ORBITAL METHODS  B3LYP/6-311++G-ASTERISK-ASTERISK LEVEL  ELECTRON-DENSITY  DFT  GLUCOPYRANOSIDE  GLYCOSIDES  PROTEINS  CLUSTERS  BEHAVIOR  HARDNESS   Three azido-, alk/phenoxido- and acetato-bridged tetranuclear nickel complexes featuring defective double-cubane 期刊论文  OAI收割 inorganica chimica acta, 2011, 卷号: 373, 期号: 1, 页码: 173-178 Lin SY; Xu GF; Zhao L; Guo YN; Tang JK; Wang QL; Liu GX 收藏  |  浏览/下载：14/0  |  提交时间：2012/06/08 MAGNETIC-PROPERTIES  METAL-COMPLEXES  SINGLE-CRYSTAL  GROUND-STATE  SCHIFF-BASE  DFT METHODS  CLUSTER  WATER  RELAXATION  HONEYCOMB   Density functional theory (DFT) and ab initio investigations of the electronic and molecular structures of the monomer and the dimer of trimethylaluminium 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMISTRY, 1998, 卷号: 16, 期号: 3, 页码: 209-212 作者:  Hong, GY;  Cao, XY;  Wang, DX;  Li, LM;  Xu, GX   |  收藏  |  浏览/下载：10/0  |  提交时间：2019/04/09 Trimethylaluminium  Density Functional Theory (Dft)  Ab Initio Methods