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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：2019     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 Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system 期刊论文 JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8 作者:  Xu, Lei;  Zhang, Tianjie;  Yang, Dapeng;  Zhang, Qiaoli 收藏  |  浏览/下载：53/0  |  提交时间：2019/12/02 charge redistribution  ESDPT  intramolecular hydrogen bonds  IR vibrational spectra  potential energy curves   A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7 作者:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan 收藏  |  浏览/下载：55/0  |  提交时间：2019/12/02 charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164 作者:  Song, Xiaoyan;  Zhang, Tianjie;  Zhang, Qiaoli;  Yang, Dapeng;  Yang, Guang 收藏  |  浏览/下载：51/0  |  提交时间：2019/06/20 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation 期刊论文 Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164 作者:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：66/0  |  提交时间：2019/05/08 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Phonon-mediated excitation energy transfer in a detuned multi-sites system 期刊论文 JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2019, 卷号: 52 作者:  Chen, Hao;  Wang, Xin;  Han, Cui-Ming;  Li, Hong-Rong 收藏  |  浏览/下载：3/0  |  提交时间：2019/11/19 quantum interference  excitation energy transfer  high-energy intramolecular vibrational motion   Singlet Fission from Upper Excited Electronic States of Cofacial Perylene Dimer 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 页码: 2428-2433 作者:  Ni, Wenjun;  Gurzadyan, Gagik G.;  Zhao, Jianzhang;  Che, Yuanyuan;  Li, Xiaoxin 收藏  |  浏览/下载：55/0  |  提交时间：2019/12/02 Electronic states  Excited states  Polycyclic aromatic hydrocarbons, Dimer cations  Energy thresholds  Excited electronic state  Higher efficiency  Internal conversions  Relaxed state  Time-scales  Vibrational cooling, Singlet fission   Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 页码: 064317 作者:  Zhang, Bingbing;  Huang, Qian-Rui;  Jiang, Shukang;  Chen, Li-Wei;  Hsu, Po-Jen 收藏  |  浏览/下载：20/0  |  提交时间：2019/12/02 Red Shift  Resonance  Ultraviolet spectroscopy, Anharmonic vibrational calculations  Energy conformers  Experimental spectra  Fundamental modes  Infrared spectrum  Stretching modes  Vacuum ultraviolets  Vibrational couplings, Calculations   Piezoelectric ZnO thin films for 2DOF MEMS vibrational energy harvesting 期刊论文 Surface and Coatings Technology, 2019, 卷号: Vol.359, 页码: 289-295 作者:  Haiping Yi;  Yongqing Fu;  Kai Tao;  Honglong Chang;  Liangxing Hu 收藏  |  浏览/下载：17/0  |  提交时间：2019/04/24 ZnO  thin  films  Vibrational  energy  harvesting  2DOF  Piezoelectric  MEMS   Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810 作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L 收藏  |  浏览/下载：37/0  |  提交时间：2020/10/16 DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY