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TDDFT study on the excited-state proton transfer of 8-hydroxyquinoline: Key role of the excited-state hydrogen-bond strengthening 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 卷号: 139, 页码: 49-53
Authors:  Lan, Sheng-Cheng;  Liu, Yu-Hui
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Hydrogen Bond  Time-dependent Density Functional Theory  Excited-state Intramolecular Proton Transfer  Internal Conversion  
A DFT/TD-DFT study of thiazolidinedione derivative in dimethylformamide: Cooperative roles of hydrogen bondings, electronic and vibrational spectra 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 卷号: 125, 页码: 131-137
Authors:  Wang, Dandan;  Lu, Rui;  Yuan, Minghu;  Fu, Aiping;  Chu, Tianshu
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The Time-dependent Density Functional Theory  Hydrogen Bonding Dynamics  Hydrogen-bonding Strengthening And Weakening  Excited State  Spectral Shift  Photoexcitation  
Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 卷号: 125, 页码: 67-72
Authors:  Chai, Shuo;  Cong, Shu-Lin
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Twisted Intramolecular Charge Transfer  Intermolecular Hydrogen Bond  Excited State Dynamics  Time-dependent Density Functional Theory  
Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline center dot(NH3)(3) cluster 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 卷号: 112, 页码: 257-262
Authors:  Liu, Yu-Hui;  Lan, Sheng-Cheng;  Li, Chun-Ran
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Excited-state Proton Transfer  Hydrogen-bonded Wire  Wagging Motion  Time-dependent Density Functional Theory  
Electronic structures and spectroscopic properties of rhenium (I) tricarbonyl photosensitizer: [Re(4,4 '-(COOEt)(2)-2,2 '-bpy)(CO)(3)py]PF6 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2009, 卷号: 71, 期号: 5, 页码: 2016-2022
Authors:  Gao, Yunling;  Sun, Shiguo;  Han, Keli
Favorite  |  View/Download:3/0  |  Submit date:2015/11/12
Rhenium Tricarbonyl Complex  Density Functional Theory (Dft)  Time-dependent Density Functional Theory (Td-dft)  Transition Energy  
One color resonant two photon ionization spectroscopy of p-methylstyrene and theoretical calculation 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2007, 卷号: 66, 期号: 2, 页码: 371-376
Authors:  Huang, Jiangou;  Xiao, Daoqing;  Bi, Weibin;  Xu, Xiling;  Gao, Zhen;  Zhu, Qihe;  Zhang, Cunhao
Favorite  |  View/Download:11/0  |  Submit date:2015/11/11
P-methyl Styrene  One Color Resonant Two-photon Ionization (Ic-r2pi)  Vibrational Spectrum  Ab Initio  Density Functional Theory (Dft)