凝聚态复杂分子体系的反应动力学实验与理论研究

20833008
2008
B0304.化学动力学
韩克利
重点项目
研究员
中国科学院大连化学物理研究所
200万元
氢键;飞秒化学;超分子;凝聚态;非绝热
2009-01-01到2012-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
查看更多信息请先登录或注册
查看更多信息请先登录或注册
查看更多信息请先登录或注册
重置
序号 标题 类型 作者
1 etermination of Two-Step Isomerization Studied by Femtosecond Time-Resolved Fluorescence Depletion in Push-Pull Molecules. 会议论文 夏安东|
2 Photophysical Properties of Coordination-Driven Self-Assembled Metallosupramolecular Rhomboids: Experimental and Theoretical Investigations 期刊论文 Zhao, Guang-Jiu|Northrop, Brian H.|Stang, Peter J.|Han, Ke-Li|
3 Understanding electron-withdrawing substituent effect on structural, electronic and charge transport properties of perylene bisimide derivatives 期刊论文 Chai, Shuo|Wen, Shu-Hao|Han, Ke-Li|
4 The investigation of nonadiabatic effects for the N+ND -> N-2+D reaction 期刊论文 Zhang, Ai-Jie|He, Guo-Zhong|
5 Quantum mechanical effect in protein-ligand interaction 期刊论文 Jing, Ying-Qi|Han, Ke-Li|
6 Theoretical study of cyclohexane hydroxylation by three possible isomers of [Fe-IV(O)(R-TPEN)](2+): does the pentadentate ligand wrapping around the metal center differently lead to the different stability and reactivity? 期刊论文 Wang, Yi|Wang, Yong|Han, Keli|
7 Electronically quenching through conical intersections in the OH (A2∑+) + H2 reaction 会议论文 韩克利|
8 Generation of an Isolated Sub-100 Attosecond Pulse in a Two-Color Laser Field 期刊论文 Guo, Ya-Hui|Lu, Rui-Feng|Han, Ke-Li|He, Guo-Zhong|
9 Damir Aumiler, Silvije Vdovic, Shenghien Lin*, Localized Emitting State and Energy Transfer Properties of Quadrupolar Chromophores and (Multi)Branched Derivatives 期刊论文 Linyin Yan| Xudong Chen| Qingguo He| Yingying Wang|Xuefei Wang|Qianjin Guo|Fenglian Bai|Andong Xia|
10 Theoretical and experimental study on the intramolecular charge transfer excited state of the new highly fluorescent terpyridine compound 期刊论文 Song, Peng|Sun, Shi-Guo|Liu, Jian-Yong|Xu, Yong-Qian|Han, Ke-Li|Peng, Xiao-Jun|
11 Time-dependent Wave Packet Quantum Scattering Study of Reaction S(P-3)+H-2 -> HS+H on a New ab initio Potential Energy Surface (3)A '; 期刊论文 Lv, Shuang-jiang|Zhang, Pei-yu|He, Guo-zhong|
12 TD-DFT Study on the Sensing Mechanism of a Fluorescent Chemosensor for Fluoride: Excited-State Proton Transfer 期刊论文 Li, Guang-Yue|Zhao, Guang-Jiu|Liu, Yu-Hui|Han, Ke-Li|He, Guo-Zhong|
13 Role of Intramolecular and Intermolecular Hydrogen Bonding in Both Singlet and Triplet Excited States of Aminofluorenones on Internal Conversion, Intersystem Crossing, and Twisted Intramolecular Charge Transfer 期刊论文 Zhao, Guang-Jiu|Han, Ke-Li|
14 Stereodynamics of chemical reactions: quasi-classical, quantum and mixed quantum-classical theories 期刊论文 Xu, Wenwu|Xu, Wenwu|Zhao, Guangjiu|Zhao, Guangjiu|
15 lectronically quenching through conical intersections in the OH(A2Σ+)+H2 reaction 会议论文 韩克利|
16 Photodissociation Dynamics of Alkyl Nitrites at 266 and 355 nm: The OH Product Channel 期刊论文 Yue, Xian-Fang|Sun, Ju-Long|Yin, Hong-Ming|Wei, Qiang|Han, Ke-Li|
17 Photoinduced charge transfer in porphyrin/C60 oligomer 期刊论文 Mingli Jia| Yan Wan| Xuefei Wang| Andong Xia|
18 Electronically quenching through conical intersections in the OH(A2Σ+)+H2 reaction 会议论文 韩克利|
19 Thermoreversible Covalent Self-Assembly of Oligo(p-phenylenevinylene) Bridged Gold Nanoparticles 期刊论文 Xiaofeng Liu|Daoben Zhu|Andong Xia|Huibiao Liu|Weidong Zhou| Haiyan Zheng|Xiaodong Yin|Yuliang Li|Yanbing Guo|Mei Zhu|Canbin Ouyang|
20 New ab initio potential energy surface and quantum dynamics of the reaction H(S-2) + NH(X-3 Sigma(-)) -> N(S-4) + H-2 期刊论文 Zhai, Hong-Sheng|Han, Ke-Li|
21 Lithium-Doped Conjugated Microporous Polymers for Reversible Hydrogen Storage 期刊论文 Li, An|Lu, Rui-Feng|Wang, Yi|Wang, Xin|Han, Ke-Li|Deng, Wei-Qiao|
22 Quenching of OH(A(2)Sigma(+)) by H-2 through Conical Intersections: Highly Excited Products in Nonreactive Channel 期刊论文 Zhang, Pei-Yu|Lu, Rui-Feng|Chu, Tian-Shu|Han, Ke-Li|
23 Excited State Localization and Delocalization of Internal Charge Transfer in Branched Push-Pull Chromophores Studied by Single Molecule Spectroscopy 期刊论文 Damir Aumiler| Sufan Wang| Xudong Chen| Andong Xia|
24 Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors 期刊论文 Zhang, Xiao-Yu|Zhao, Guang-Jiu|
25 A BODIPY fluorescence probe modulated by selenoxide spirocyclization reaction for peroxynitrite detection and imaging in living cells 期刊论文 Bingshuai Wang| Fabiao Yu| Peng Li| Xiaofei Sun|Keli Han|
26 Quantum wavepacket exploration of isolated high-order harmonic attosecond pulse generation: from two-color scheme to three-color scheme 期刊论文 Yao, Cuixia|Yao, Cuixia|Shao, Tianjiao|Shao, Tianjiao|Zhao, Guangjiu|Zhao, Guangjiu|
27 Exact quantum scattering study of the H plus HS reaction on a new ab initio potential energy surface (HS)-S-2 ((3)A ';';) 期刊论文 Lv, Shuang-Jiang|Zhang, Pei-Yu|Han, Ke-Li|He, Guo-Zhong|
28 Coriolis coupling effect in molecular reaction dynamics 期刊论文 Tianshu Chu|Keli Han|
29 A five-dimensional quantum dynamics study of the F(P-2)+CH4 reaction 期刊论文 Chu, Tianshu|Han, Keli|Espinosa-Garcia, Joaquin|
30 Molecular dynamics simulation of SRP GTPases: Towards an understanding of the complex formation from equilibrium fluctuations 期刊论文 Yang, Mingjun|Zhang, Xin|Han, Keli|
31 Steric hindrance effect of the equatorial ligand on Fe(IV)O and Ru(IV)O complexes: a density functional study 期刊论文 Wang, Yi|Han, Keli|
32 Experimental and theoretical study of the rotational reorientation dynamics of 7-animocoumarin derivatives in polar solvents: hydrogen-bonding effects 期刊论文 Zhou, Panwang|Song, Peng|Liu, Jianyong|Han, Keli|He, Guozhong|
33 Observation of Unexpected Spectral Phenomena During FRET Measurements 会议论文 夏安东|
34 A TD-DFT Study on the Cyanide-Chemosensing Mechanism of 8-Formyl-7-hydroxycoumarin 期刊论文 Li, Guang-Yue|Zhao, Guang-Jiu|Han, Ke-Li|He, Guo-Zhong|
35 Photophysical properties of intra- molecular charge transfer in two newly synthesized tribranched donor-pi-acceptor chromophores 期刊论文 Mingli Jia| Xiaonan Ma| Linyin Yan| Haifeng Wang|Qianjin Guo|Xuefei Wang|Yingying Wang|Xiaowei Zhan|Andong Xia|
36 A Near-IR Reversible Fluorescent Probe Modulated by Selenium for Monitoring Peroxynitrite and Imaging in Living Cells 期刊论文 Fabiao Yu| Peng Li| Guangyue Li| Guangjiu Zhao|Tianshu Chu|Keli Han|
37 Determination and Modulation of Fluorescence on/off at Single Molecule Level 会议论文 夏安东|
38 Rational Design of d-PeT Phenylethynylated-Carbazole Monoboronic Acid Fluorescent Sensors for the Selective Detection of alpha-Hydroxyl Carboxylic Acids and Monosaccharides 期刊论文 Zhang, Xin|Chi, Lina|Ji, Shaomin|Wu, Yubo|Song, Peng|Han, Keli|Guo, Huimin|James, Tony D.|Zhao, Jianzhang|
39 TD-DFT study on fluoride-sensing mechanism of 2-(2 ';-phenylureaphenyl)benzoxazole: the way to inhibit the ESIPT process 期刊论文 Li, Guang-Yue|Chu, Tianshu|
40 Experimental and Theoretical Study on the Photophysical Properties of 90 degrees and 60 degrees Bimetallic Platinum Complexes 期刊论文 Chen, Jun-Sheng|Zhao, Guang-Jiu|Cook, Timothy R.|Sun, Xiao-Fei|Yang, Song-Qiu|Zhang, Ming-Xing|Han, Ke-Li|Stang, Peter J.|
41 First-Principles Investigation of the Electronic and Conducting Properties of Oligothienoacenes and their Derivatives 期刊论文 Huang, Jin-Dou|Wen, Shu-Hao|Han, Ke-Li|
42 An Acyl Group Makes a Difference in the Reactivity Patterns of Cytochrome P450 Catalyzed N-Demethylation of Substituted N,N-Dimethylbenzamides-High Spin Selective Reactions 期刊论文 Wang, Yong|Li, Dongmei|Han, Keli|Shaik, Sason|
43 Hydrogen Bonding Effects on the Photochemistry of Chromophores in Solution 会议论文 韩克利|
44 Recent density functional theory model calculations of drug metabolism by cytochrome P450 期刊论文 Li, Dongmei|Wang, Yong|Han, Keli|
45 Nitrosation of malononitrile by HONO, ClNO and N2O3: A theoretical study 期刊论文 Yang, Kun|Chen, Xiao-Fang|Liu, Jian-Yong|Lai, Wei-Peng|Wang, Bo-Zhou|
46 Electronically Quenching through Conical Intersections in the OH (A2∑+) + H2 Reaction 会议论文 韩克利|
47 Nonadiabatic effects in the H+H-2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level 期刊论文 Chu, Tian-Shu|Han, Ke-Li|Hankel, Marlies|Balint-Kurti, Gabriel G.|Kuppermann, Aron|Abrol, Ravinder|
48 Spectroscopic Evidence for Unusual Microviscosity in Imidazolium Ionic Liquid and Tetraethylene Glycol Dimethyl Ether Cosolvent Mixtures 期刊论文 Boxuan Li| Yingying Wang| Xuefei Wang| Silvije Vdovic|Qianjin Guo|Andong Xia|
49 The Coriolis effect in the N plus ND -> N-2 + D reaction 期刊论文 Zhang Aijie|He Guozhong|
50 Non-Born-Oppenheimer Dynamics Calculations Using the Coherent Switching With Decay of Mixing Method 期刊论文 Li, Bin|Chu, Tian-Shu|Han, Ke-Li|
51 TDDFT Study on Different Sensing Mechanisms of Similar Cyanide Sensors Based on Michael Addition Reaction 期刊论文 Li, Guang-yue|Song, Ping|He, Guo-zhong|
52 Quantum wave packet dynamics study of the S(P-3) + H-2 reaction on the lowest SH2(1(3)A ';';) state 期刊论文 Lv, Shuang-Jiang|Zhang, Pei-Yu|Zhao, Meiyu|He, Guo-Zhong|
53 A fluorescent probe for rapid detection of thiols and imaging of thiols reducing repair and H2O2 oxidative stress cycles in living cells 期刊论文 Zhangrong Lou| Peng Li| Xiaofei Sun| Songqiu Yang|Bingshuai Wang|Keli Han|
54 Fundamental Reaction Pathways for Cytochrome P450-Catalyzed 5 ';-Hydroxylation and N-Demethylation of Nicotine 期刊论文 Li, Dongmei|Wang, Yong|Han, Keli|Zhan, Chang-Guo|
55 Hydrogen Bonding in the Electronic Excited State 期刊论文 Zhao, Guang-Jiu|Han, Ke-Li|
56 Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)(2)](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)(2)](2+)(OSO2CF3)(2 期刊论文 Zhao, Guang-Jiu|Han, Ke-Li|Stang, Peter J.|
57 Theoretical studies of iridium-mediated tautomerization of substituted pyridines 期刊论文 Su, Yan|Song, Guoyong|Han, Keli|Li, Xingwei|
58 Hydrogen Bonding and Transfer in the Excited State 专著 Keli Han|Guangjiu Zhao|
59 Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solution: A time-resolved fluorescence and theoretical study 期刊论文 Liu, Yu-Hui|Li, Peng|
60 First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors 期刊论文 Wen, Shu-Hao|Li, An|Song, Junling|Deng, Wei-Qiao|Han, Ke-Li|Goddard, William A., III|
61 Theoretical Study of 1,3-Dipolar Cycloaddition of Hydrazoic Acid to Substituted Ynamines 期刊论文 Chen, Xiao-fang|Yang, Kun|Han, Ke-li|
62 A fluorescent probe directly detect peroxynitrite based on boronate oxidation and its applications for fluorescence imaging in living cells 期刊论文 Yu, Fabiao|Song, Ping|Li, Peng|Wang, Bingshuai|Han, Keli|
63 Dynamics of the “Dark S* State of β-Carotene Reinvestigated Using Multivariate Curve Resolution Method and 2D Correlation Spectroscopy 会议论文 夏安东|
64 Determination of Dark Processes in Complex Solvated Molecules Studied by Femtosecond Fluorescence Depletion 会议论文 夏安东|
65 Fluorescence quenching phenomena facilitated by excited-state hydrogen bond strengthening for fluorenone derivatives in alcohols 期刊论文 Liu, Yu-Hui|Zhao, Guang-Jiu|Li, Guang-Yue|Han, Ke-Li|
66 Strong Two-Photon Excited Fluorescence in Pyrene Core Dendrimers with Fluorene/Carbazole as Dendrons, and Acetylene as Linkages 期刊论文 Yan Wan|Mario Rodríguez|Andong Xia|Linyin Yan|Zujin Zhao|Xiaonan Ma|Qianjin Guo|Mingli Jia|Ping Lu|Gabriel Ramos-Ortiz|José Luis Maldonado|
67 BODIPY derivatives as n-type organic semiconductors: Isomer effect on carrier mobility 期刊论文 Zhang, Ming-Xing|Chai, Shuo|Zhao, Guang-Jiu|
68 Photophysical properties of rhodamine isomers: a two-photon excited fluorescent sensor for trivalent chromium cation (Cr3+) 期刊论文 Yan Wan| Qianjin Guo| Xuefei Wang| Andong Xia|
69 Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity 期刊论文 Huang, Jindou|Wen, Shuhao|Liu, Jianyong|He, Guozhong|
70 Spectral and intramolecular charge transfer properties in terminal donor/acceptor-substituted all-trans-alpha, omega-diphenylpolyenes and alpha, omega-diphenylpolyynes 期刊论文 Ma Xiaonan|Yan Linyin|Wang Xuefei|Guo Qianjin|Xia Andong|
71 Hydrogen bonding effects on the photochemistry of chromophores 会议论文 韩克利|
72 Enhancement of two-photon absorption cross section and singlet-oxygen generation in porphyrin-cored star polymers 期刊论文 Yan Wan| Ke Jia| BinSong Li| ZhiShan Bo| Andong Xi|
73 Mo-S-I Nanowires: A Promising Anode Material for Lithium-Ion Batteries. A First-Prhiciples Study 期刊论文 Wen, Shu-hao|Hou, Z. F.|Han, Ke-Li|
74 Structure-dependent all-optical switching in graphene nanoribbon-like molecules: fully conjugated tri(perylene bisimides) 期刊论文 Huan Wang|Hongmei Su| Hualei Qian| Zhaohui Wan|Xuefeng Wang|Andong Xia|
75 Anion-Exchange-Triggered 1,3-Shift of an NH Proton to Iridium in Protic N-Heterocyclic Carbenes: Hydrogen-Bonding and Ion-Pairing Effects 期刊论文 Song, Guoyong|Su, Yan|Periana, Roy A.|Crabtree, Robert H.|Han, Keli|Zhang, Hongjie|Li, Xingwei|
76 The Effect of Intermolecular Hydrogen Bonding on the Fluorescence of a Bimetallic Platinum Complex 期刊论文 Zhao, Guang-Jiu|Northrop, Brian H.|Han, Ke-Li|Stang, Peter J.|
77 Substituent Effects on the Intramolecular Charge Transfer and Fluorescence of Bimetallic Platinum Complexes 期刊论文 Zhao, Guang-Jiu|Yu, Fabiao|Zhang, Ming-Xing|Northrop, Brian H.|Yang, Haibo|Han, Ke-Li|Stang, Peter J.|
78 Revealing quantitative structure-activity relationships of transport properties in acene and acene derivative organic materials 期刊论文 Wen, Shu-Hao|Deng, Wei-Qiao|Han, Ke-Li|
79 Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein 期刊论文 Zhao, Guang-Jiu|Cheng, Chang-Li|
80 Density Functional Theory Study on Electron and Hole Transport Properties of Organic Pentacene Derivatives with Electron-Withdrawing Substituent 期刊论文 Chai, Shuo|Wen, Shu-Hao|Huang, Jin-Dou|Han, Ke-Li|
81 Dynamics of OH Formation in the Photodissociation of o-Nitrobenzoic Acid at 295 and 355 nm 期刊论文 Zhou, Can-Hua|Cheng, Shi-Bo|Sun, Ju-Long|Yin, Hong-Ming|Han, Ke-Li|He, Guo-Zhong|
82 A reaction of formaldehyde with acetonitrile: understanding the preparation of RDX(I) 期刊论文 Chen, Xiao-Fang|Wang, Bo-Zhou|Han, Ke-Li|
83 Simulation of Hole Mobility in alpha-Oligofuran Crystals 期刊论文 Huang, Jin-Dou|Wen, Shu-Hao|Deng, Wei-Qiao|Han, Ke-Li|
84 Nonadiabatic quantum dynamics calculations for the N plus NH -> N-2 + H reaction 期刊论文 Yang, Huan|Hankel, M.|Varandas, Antonio|Han, Keli|
85 An ICT-based strategy to a colorimetric and ratiometric fluorescence probe for hydrogen sulfide in living cells 期刊论文 Yu, Fabiao|Li, Peng|Song, Ping|Wang, Bingshuai|Zhao, Jianzhang|Han, Keli|
86 Steered molecular dynamics simulation study on dynamic self-assembly of single-stranded DNA with double-walled carbon nanotube and graphene 期刊论文 Cheng, Chang-Li|Zhao, Guang-Jiu|
87 Heteroatomic Effects on Charge-Transfer Mobility of Dianthra[2,3-b:2 ';,3 ';-f]thieno[3,2-b]thiophene (DATT) and Its Derivatives 期刊论文 Zhang, Ming-Xing|Zhao, Guang-Jiu|
88 Nonadiabatic quantum reactive scattering of the OH(A (2)Sigma(+)) + D-2 期刊论文 Zhang, Pei-Yu|Lu, Rui-Feng|Chu, Tian-Shu|Han, Ke-Li|
89 Terpyridine-derived Zn2+ Selective Fluorescence Sensor: Ratiometric Fluoroionophoric Behavior Study 期刊论文 Song Peng|Sun Shi-guo|Zhou Pan-wang|Liu Jian-yong|Xu Yong-qian|Peng Xiao-jun|
90 Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional pi-Stacking and Hydrogen Bonding 期刊论文 Zhang, Ming-Xing|Zhao, Guang-Jiu|
91 Excited-State Proton Transfer via Hydrogen-Bonded Acetic Acid (AcOH) Wire for 6-Hydroxyquinoline 期刊论文 Liu, Yu-Hui|Mehata, Mohan Singh|Liu, Jian-Yong|
92 Excited State Electronic Structures and Photochemistry of Heterocyclic Annulated Perylene (HAP) Materials Tuned by Heteroatoms: S, Se, N, O, C, Si, and B 期刊论文 Zhao, Guang-Jiu|Han, Ke-Li|
93 The invalidity of the photo-induced electron transfer mechanism for fluorescein derivatives 期刊论文 Zhou, Panwang|Liu, Jianyong|Yang, Songqiu|Chen, Junsheng|Han, Keli|He, Guozhong|
94 Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction 期刊论文 Lv Shuang-Jiang|Zhang Pei-Yu|He Guo-Zhong|
95 Catalytic Mechanism of Cytochrome P450 for 5 ';-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity 期刊论文 Li, Dongmei|Huang, Xiaoqin|Han, Keli|Zhan, Chang-Guo|
96 Single molecule Fluorescence Fluctuations of the Cyanine Dyes Linked Covalently to DNA 期刊论文 Wei Lv| Xudong Chen| Damir Aumiler| Andong Xia|
97 Control continuum bandwidth and attosecond pulse generation by infrared laser parametric source 期刊论文 Changli Cheng|Changli Cheng|Guangjiu Zhao|Guangjiu Zhao|Tianjiao Shao|Tianjiao Shao|Haibo Zhu|Haibo Zhu|
98 Rapid internal conversion in a symmetric molecule LD 700 studied by means of femtosecond fluorescence depletion 期刊论文 Guo Xun-Min|Wan Yan|Xia An-Dong|Wang Su-Fan|Liu Jian-Yong|Han Ke-Li|
99 Detection of OH Radical in the Photodissociation of p-Aminobenzoic Acid at 266 nm 期刊论文 Zhou, Can-hua|Cheng, Shi-bo|Yin, Hong-ming|He, Guo-zhong|
100 Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states 期刊论文 Chai, Shuo|Zhao, Guang-Jiu|Song, Peng|Yang, Song-Qiu|Liu, Jian-Yong|Han, Ke-Li|
101 细胞色素P450催化4-氯-N-环丙基-N-异丙基苯胺C_α–H羟基化反应机理的理论研究 期刊论文 李冬梅|刘建勇|LI Dongmei,LIU Jianyong State Key Laboratory of Mo|
102 Size effect of water cluster on the excited-state proton transfer in aqueous solvent 期刊论文 Liu, Yu-Hui|Chu, Tian-Shu|
103 Quantum Mechanics Rate Constant for the N plus ND Reaction 期刊论文 Zhang, Ai-jie|He, Guo-zhong|
104 pH-Controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction 期刊论文 Zhao, Guang-Jiu|Han, Ke-Li|
查看更多信息请先登录或注册