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浏览/检索结果: 共23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 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   Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文 STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng 收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20 Hydrogen bond  Charge density difference  ESIPT  Potential energy curves   Solvation effect on the ESIPT mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1H-imidazo- [4,5-c]pyridine 期刊论文 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 261-269 作者:  Wang, Yi;  Tang, Zhe;  Lu, Meiheng;  Liu, Kangjing;  Zhao, Yanliang 收藏  |  浏览/下载：65/0  |  提交时间：2019/06/20 ESIPT  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves   Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds 期刊论文 Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823 作者:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng 收藏  |  浏览/下载：30/0  |  提交时间：2019/05/08 Hydrogen bond  Charge density difference  Esipt  Potential energy curves   Solvation effect on the esipt mechanism of 2-(4 '-amino-2 '-hydroxyphenyl)-1h-imidazo- [4,5-c]pyridine 期刊论文 Journal of photochemistry and photobiology a-chemistry, 2018, 卷号: 367, 页码: 261-269 作者:  Tang, Zhe;  Lu, Meiheng;  Liu, Kangjing;  Zhao, Yanliang;  Qi, Yutai 收藏  |  浏览/下载：79/0  |  提交时间：2019/05/08 Esipt  Molecular electrostatic potential surface  Frontier molecular orbitals  Potential-energy curves   Identifying the Role of Intramolecular Charge Transfer and Excited-State Proton Transfer in Fluorescence Mechanism for an Azido-Based Chemosensor 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 46, 页码: 26576-26583 作者:  Li, Yang;  Zhao, Ningjiu;  Jia, Yan;  Li, Peng 收藏  |  浏览/下载：30/0  |  提交时间：2019/06/20 Identifying the role of intramolecular charge transfer and excited-state proton transfer in fluorescence mechanism for an azido-based chemosensor 期刊论文 Journal of physical chemistry c, 2018, 卷号: 122, 期号: 46, 页码: 26576-26583 作者:  Zhao, Ningjiu;  Li, Yang;  Jia, Yan;  Li, Peng 收藏  |  浏览/下载：32/0  |  提交时间：2019/05/08 Simultaneous enhancement of proton conductivity and methanol resistance of sulfonated poly(phthalazinone ether sulfone ketone)/superacid sulfated zirconia composite membranes for direct methanol fuel cells 期刊论文 JOURNAL OF APPLIED POLYMER SCIENCE, 2018, 卷号: 135, 期号: 42, 页码: 12 作者:  Xu, Xinlong;  Yan, Xiaoming;  Du, Naixu;  Gong, Xue;  Li, Tiantian 收藏  |  浏览/下载：67/0  |  提交时间：2019/06/20 composite membrane  direct methanol fuel cell  organicinorganic  proton exchange membrane  sulfonated poly(phthalazinone ether sulfone ketone)  superacid   Fundamental Research Funds for the Central Universities[DUT16TD19] 项目 项目编号: DUT16TD19, 资助机构: Fundamental Research Funds for the Central Universities, 2018- - 收藏  |  浏览/下载：2/0  |  提交时间：2019/06/20