DICP OpenIR

Browse/Search Results:  1-10 of 37 Help

Filters    
Selected(0)Clear Items/Page:    Sort:
Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1031, 期号: 1, 页码: 13-21
Authors:  Gao, Ai-Hua;  Li, Bin;  Zhang, Pei-Yu;  Liu, Jianyong;  Liu JY(刘建勇)
Adobe PDF(2502Kb)  |  Favorite  |  View/Download:118/28  |  Submit date:2014/09/11
Azobenzene  Bridged Azobenzene  Surface Hopping Method  Dynamics Simulations  Zhu-nakamura Theory  
Experimental and theoretical study on the sensing mechanism of a fluorescence probe for hypochloric acid: a Se... 期刊论文
Physical Chemistry Chemical Physics, 2014, 卷号: 16, 期号: 8, 页码: 3749
Authors:  Lou ZR(楼张蓉);  Yang SQ(羊送球);  Li P(李鹏);  Zhou PW(周潘旺);  Han KL(韩克利)
Adobe PDF(1973Kb)  |  Favorite  |  View/Download:188/40  |  Submit date:2014/09/11
Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 133, 期号: 1, 页码: 1411
Authors:  Chen, Jun-Sheng;  Liu, Run-Ze;  Yang, Yang;  Chu, Tian-Shu;  Chu TS(楚天舒)
Adobe PDF(462Kb)  |  Favorite  |  View/Download:193/70  |  Submit date:2014/09/11
Colorimetric Sensor  Sensing Mechanism  Density Functional Calculations  Desilylation Reaction  Intramolecular Charge Transfer (Ict)  Naphthalimide  
A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2013, 卷号: 34, 期号: 19, 页码: 1620-1635
Authors:  Pang, Xueqin;  Han, Keli;  Cui, Qiang;  Han KL(韩克利);  Cui qiang
Adobe PDF(2829Kb)  |  Favorite  |  View/Download:118/25  |  Submit date:2014/09/11
Dna Repair Enzymes  Molecular Dynamics  Non-heme Iron  Crystal Packing  Protein-dna Interaction  
Mechanisms and Risk Assessments on the N-Nitration of N-Acetylhexahydro-s-triazines: Understanding the Preparation of RDX (2) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 24, 页码: 5007-5014
Authors:  Chen, Xiao-Fang;  Yang, Kun;  Wang, Bo-Zhou;  Chen XF(陈晓芳)
Adobe PDF(1412Kb)  |  Favorite  |  View/Download:124/49  |  Submit date:2014/09/11
White Light Assisted Photosensitized Synthesis of Ag Nanoparticles: Excited-State Hydrogen Bonding Roles 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 22, 页码: 11858-11865
Authors:  Yang, Yang;  Liu, Lei;  Yin, Hongming;  Xu, Dali;  Liu, Guangye;  Song, Xiancheng;  Liu, Jianyong;  Yin HM(尹鸿鸣);  Liu JY(刘建勇)
Adobe PDF(4183Kb)  |  Favorite  |  View/Download:100/29  |  Submit date:2014/09/11
Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex 期刊论文
ACS CATALYSIS, 2013, 卷号: 3, 期号: 6, 页码: 1334-1341
Authors:  Wang, Yong;  Janardanan, Deepa;  Usharani, Dandamudi;  Han, Keli;  Que, Lawrence, Jr.;  Shaik, Sason;  Wang Y(王永);  Lawrence Que;  Jr.;  Sason Shaik
Adobe PDF(2622Kb)  |  Favorite  |  View/Download:123/36  |  Submit date:2014/09/11
Nonheme Iron  C-h Activation  Density Functional Calculations  Oxometal  O-o Homolysis  
Reversible Near-Infrared Fluorescent Probe Introducing Tellurium to Mimetic Glutathione Peroxidase for Monitoring the Redox Cycles between Peroxynitrite and Glutathione in Vivo 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 卷号: 135, 期号: 20, 页码: 7674-7680
Authors:  Yu, Fabiao;  Li, Peng;  Wang, Bingshuai;  Han, Keli;  Han KL(韩克利)
Adobe PDF(428Kb)  |  Favorite  |  View/Download:224/133  |  Submit date:2014/09/11
A BODIPY fluorescence probe modulated by selenoxide spirocyclization reaction for peroxynitrite detection and imaging in living cells 期刊论文
DYES AND PIGMENTS, 2013, 卷号: 96, 期号: 2, 页码: 383-390
Authors:  Wang, Bingshuai;  Yu, Fabiao;  Li, Peng;  Sun, Xiaofei;  Han, Keli;  Han KL(韩克利)
Adobe PDF(1041Kb)  |  Favorite  |  View/Download:264/52  |  Submit date:2013/10/11
Fluorescent Probes  Bodipy  Selenium  Peroxynitrite  Redox Chemistry  Fluorescence Imaging  
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
CHEMICAL COMMUNICATIONS, 2013, 卷号: 49, 期号: 4, 页码: 391-393
Authors:  Lou, Zhangrong;  Li, Peng;  Sun, Xiaofei;  Yang, Songqiu;  Wang, Bingshuai;  Han, Keli;  Han KL(韩克利)
Adobe PDF(2437Kb)  |  Favorite  |  View/Download:227/22  |  Submit date:2013/10/11