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浏览/检索结果: 共29条，第1-10条 帮助 限定条件 发表日期：2018    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     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Kinetics of reaction RH + O-2 = R + HO2 (RH = normal C1-C14 alkanes): A DFT investigation 期刊论文 FUEL, 2018, 卷号: 234, 页码: 1165-1172 作者:  Fan, Hongjun;  Xu, Wei 收藏  |  浏览/下载：27/0  |  提交时间：2019/06/20 Fuel combustion  Long alkane  Kinetics  First-principle   Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文 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 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   A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289 作者:  Yang, Yanqiang;  Ma, Yinhua;  Zhao, Jinfeng;  Liu, Jianyong;  Chu, Tianshu 收藏  |  浏览/下载：120/0  |  提交时间：2019/06/20 Binding model  Time-dependent density functional theory  Weak interactions  TNP sensing  Photoinduced electron transfer  Binding energy   Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文 ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711 作者:  Cheng, Shi-Bo;  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua 收藏  |  浏览/下载：37/0  |  提交时间：2019/06/20 indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship   Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文 Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711 作者:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo 收藏  |  浏览/下载：64/0  |  提交时间：2019/05/08 Indeno[1,2-b] fluorene-6,12-dione-based molecules  Intrinsic hole mobility  Intrinsic electron mobility  Electronic spectra  Density functional theory (dft)  Structure-function relationship   A binding model study on tnp fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid 期刊论文 Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 282-289 作者:  Ma, Yinhua;  Zhao, Jinfeng;  Liu, Jianyong;  Yang, Yanqiang;  Chu, Tianshu 收藏  |  浏览/下载：139/0  |  提交时间：2019/05/08 Binding model  Time-dependent density functional theory  Weak interactions  Tnp sensing  Photoinduced electron transfer  Binding energy   Shape-Controlled Synthesis of Metal-Organic Frameworks with Adjustable Fenton-Like Catalytic Activity 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 44, 页码: 38051-38056 作者:  Liu, Jiayi;  Li, Xuning;  Liu, Biao;  Zhao, Chunxiao;  Kuang, Zhichong 收藏  |  浏览/下载：94/0  |  提交时间：2019/06/20 secondary building units  shape-controlled  Prussian blue analogue  DFT calculation  Fenton reaction   Shape-controlled synthesis of metal-organic frameworks with adjustable fenton-like catalytic activity 期刊论文 Acs applied materials & interfaces, 2018, 卷号: 10, 期号: 44, 页码: 38051-38056 作者:  Liu, Jiayi;  Li, Xuning 收藏  |  浏览/下载：116/0  |  提交时间：2019/05/08 Secondary building units  Shape-controlled  Prussian blue analogue  Dft calculation  Fenton reaction   Copper-Catalyzed Intramolecular Annulation of Conjugated Enynones to Substituted 1H-Indenes and Mechanistic Studies 期刊论文 JOURNAL OF ORGANIC CHEMISTRY, 2018, 卷号: 83, 期号: 21, 页码: 13243-13255 作者:  Pei, Chao;  Rong, Guang-Wei;  Yu, Zhi-Xiang;  Xu, Xin-Fang 收藏  |  浏览/下载：28/0  |  提交时间：2019/06/20