机构

• 大连化学物理研究所 [11]

采集方式

• OAI收割 [10]
• iSwitch采集 [1]

内容类型

• 期刊论文 [11]

发表日期

• 2018 [2]
• 2017 [3]
• 2016 [2]
• 2014 [1]
• 2011 [2]
• 2010 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共11条，第1-10条 帮助 限定条件 专题：大连化学物理研究所    第一署名单位    第一作者单位    通讯作者单位     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序题名升序题名降序作者升序作者降序发表日期升序发表日期降序 Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11 作者:  Zhou, Panwang   |  收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20 ADC(2)  cyanine dyes  rhodamine dyes  TDDFT  XMCQDPT2   Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文  iSwitch采集 International journal of quantum chemistry, 2018, 卷号: 118, 期号: 23, 页码: 11 作者:  Zhou, Panwang 收藏  |  浏览/下载：40/0  |  提交时间：2019/05/08 Adc(2)  Cyanine dyes  Rhodamine dyes  Tddft  Xmcqdpt2   Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文  OAI收割 NANO ENERGY, 2017, 卷号: 39, 页码: 1-8 作者:  Hao, Ce;  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Wang, Aiqin 收藏  |  浏览/下载：28/0  |  提交时间：2017/12/19 Single-atom electrocatalysis  Photovoltaics  Counter electrodes  Density function theory   Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文  OAI收割 NANO ENERGY, 2017, 卷号: 39, 页码: 1-8 作者:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin 收藏  |  浏览/下载：13/0  |  提交时间：2017/12/19 Single-atom electrocatalysis  Photovoltaics  Counter electrodes  Density function theory   Yin and Yang Dual Characters of CuOx Clusters for C-C Bond Oxidation Driven by Visible Light 期刊论文  OAI收割 ACS CATALYSIS, 2017, 卷号: 7, 页码: 3850-3859 作者:  Hou, Tingting;  Luo, Nengchao;  Li, Hongji;  Heggen, Marc;  Lu, Jianmin   |  收藏  |  浏览/下载：26/0  |  提交时间：2017/10/29 Heterogeneous Catalysis  Visible Light  Ceria  Copper  Titania  C-c Bond  Benzaldehyde   Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464 作者:  Chung, Lung Wa;  Li, Xin;  Li, Guohui   |  收藏  |  浏览/下载：18/0  |  提交时间：2019/06/20 Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 4, 页码: 453-461 作者:  Fan, Hong-jun;  Li, Lu;  Hu, Hao-quan   |  收藏  |  浏览/下载：12/0  |  提交时间：2019/06/20 Bond Dissociation Enthalpies  Density Functional Theory  Double-hybrid Density Functional Theory  High-level Composite Methods   Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet-B by Tryptophan and Dissociation of Homodimer 期刊论文  OAI收割 journal of chemical theory and computation, 2014, 卷号: 10, 期号: 8, 页码: 3319-3330 作者:  Li, Xin;  Chung, Lung Wa;  Morokuma, Keiji;  Li, Guohui 收藏  |  浏览/下载：31/0  |  提交时间：2015/11/17 A Density Functional Theory Study of the Synthesis of 5-Chloro-benzofuroxan from 5-Chloro-2-nitroaniline 期刊论文  OAI收割 acta chimica sinica, 2011, 卷号: 69, 期号: 9, 页码: 1065-1069 作者:  Hou Chunyuan;  Chen Xiaofang;  Liu Jianyong;  Wang Bozhou 收藏  |  浏览/下载：51/0  |  提交时间：2015/11/12 benzofuroxan  furaxan  5-chloride-2-nitroaniline  sodium hypochlorite   Spectral and intramolecular charge transfer properties in terminal donor/acceptor-substituted all-trans-alpha,omega-diphenylpolyenes and alpha,omega-diphenylpolyynes 期刊论文  OAI收割 physical chemistry chemical physics, 2011, 卷号: 13, 期号: 38, 页码: 17273-17283 作者:  Ma, Xiaonan;  Yan, Linyin;  Wang, Xuefei;  Guo, Qianjin;  Xia, Andong 收藏  |  浏览/下载：12/0  |  提交时间：2015/11/12