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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 发表日期：2018     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   The electronic structures and excitation properties of three mesopentafluorophenyl substituted zinc porphyrin-fullerene dyad 期刊论文 JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1173, 页码: 398-405 作者:  Lu, Xiao-Juan;  Zhang, Cai-Rong;  Shen, Yu-Lin;  Wu, You-Zhi;  Liu, Zi-Jiang 收藏  |  浏览/下载：9/0  |  提交时间：2019/11/15 Porphyrin fullerene dyad  Electronic structures  Excited states  Density functional theory  Time dependent density functional theory   The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad 期刊论文 Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405 作者:  Lu, Xiao-Juan;  Zhang, Cai-Rong;  Shen, Yu-Lin;  Wu, You-Zhi;  Liu, Zi-Jiang 收藏  |  浏览/下载：0/0  |  提交时间：2020/11/14 Charge transfer  Electronic structure  Excited states  Fullerenes  Geometry  Molecular orbitals  Optoelectronic devices  Porphyrins  Structural properties  Zinc  Highest occupied molecular orbital  Lowest unoccupied molecular orbital  Optoelectronic properties  Partial delocalization  Porphyrin fullerenes  Synergistic enhancement  Time dependent density functional theory  Transient intermediate   Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces 期刊论文 PHYSICAL REVIEW B, 2018, 卷号: 97, 期号: 20 作者:  Zheng, Qijing;  Xie, Yu;  Lan, Zhenggang;  Prezhdo, Oleg V.;  Saidi, Wissam A. 收藏  |  浏览/下载：26/0  |  提交时间：2018/12/21 Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model 期刊论文 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4 作者:  Xu, Peng;  Zhang, Cai-Rong;  Wang, Wei;  Gong, Ji-Jun;  Liu, Zi-Jiang 收藏  |  浏览/下载：7/0  |  提交时间：2019/11/15 excited states  ab initio  density functional theory  donor-acceptor complexes  charge transfer   The electronic structures and optical properties of fullerene derivatives for organic solar cells: The number and size effects of fullerene-cage 期刊论文 MATERIALS CHEMISTRY AND PHYSICS, 2018, 卷号: 204, 页码: 95-104 作者:  Zhang, Yang;  Zhang, Cai-Rong;  Yuan, Li-Hua;  Zhang, Mei-Ling;  Chen, Yu-Hong 收藏  |  浏览/下载：11/0  |  提交时间：2019/11/15 Fullerene derivatives  Electronic structures  Excited states  Optical properties  Organic solar cells   Luminescence and Cationic-Size-Driven Site Selection of Eu3+ and Ce3+ Ions in Ca8Mg(SiO4)4Cl2 期刊论文 INORGANIC CHEMISTRY, 2018, 卷号: 57, 期号: 23, 页码: 14872-14881 作者:  Brik, Mikhail G.;  Ou, Yiyi;  Zhou, Weijie;  Tao Y(陶冶);  Liang, Hongbin 收藏  |  浏览/下载：23/0  |  提交时间：2019/10/11 Charge Transfer in an Ordered AgCu2S4-MBA System Based on Surface-Enhanced Raman Scattering 期刊论文 Journal of Physical Chemistry C, 2018, 卷号: 122, 期号: 10, 页码: 5599-5605 作者:  Zhang, X. Y.;  Han, D. L.;  Pang, Z. Y.;  Sun, Y. S.;  Wang, Y. X. 收藏  |  浏览/下载：3/0  |  提交时间：2019/09/17 photocatalytic activity  nanocap arrays  visible-light  spectroscopy  sers  nanoparticles  Chemistry  Science & Technology - Other Topics  Materials Science