DICP OpenIR

Browse/Search Results:  1-10 of 433 Help

Selected(0)Clear Items/Page:    Sort:
Stereostructural Elucidation of Glucose Phosphorylation by Raman Optical Activity 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 37, 页码: 7794-7800
Authors:  Tang, Yuxuan;  Cheng, Feng;  Feng, Zhaochi;  Jia, Guoqing;  Li, Can
Favorite  |  View/Download:20/0  |  Submit date:2019/12/02
Interwoven Molecular Chains Obtained by Ionic Self-Assembly of Two Iron(III) Porphyrins with Opposite and Mismatched Charges 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34203-34211
Authors:  Xie, Yan;  Zhong, Qinglu;  Lv, Yang;  Li, Jia;  Hao, Zhiqiang;  Tang, Chizhou;  Wei, Xuming;  Su, Yang;  Huang, Jiahui;  Wang, Anjie;  Guo, Xinwen;  Wang, Junhu;  Li, Guohui;  Song, Yujiang
Favorite  |  View/Download:15/0  |  Submit date:2019/12/02
porphyrin  electrocatalysts  ionic self-assembly  oxygen reduction reaction  molecular dynamics simulation  
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
Authors:  Zhang, Ruidan;  Dong, Jichao;  Luo, Ting;  Tang, Fujie;  Peng, Xingxing;  Zhou, Chuanyao;  Yang, Xueming;  Xu, Limei;  Ren, Zefeng
Favorite  |  View/Download:13/0  |  Submit date:2019/12/02
Chemical effect of NO on CH4 oxidation during combustion in O-2/NO environments 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 727, 页码: 59-65
Authors:  Liu, Yalan;  Zhang, Xuexiang;  Ding, Junxia
Favorite  |  View/Download:17/0  |  Submit date:2019/06/20
Methane  Oxidation  Nitric oxide  Reactive molecular dynamics  Kinetic behavior  
Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 24, 页码: 5048-5058
Authors:  Gupta, Rupal;  Zhang, Huilan;  Lu, Manman;  Hou, Guangjin;  Caporini, Marc;  Rosay, Melanie;  Maas, Werner;  Struppe, Jochem;  Ahn, Jinwoo;  Byeon, In-Ja L.;  Oschkinat, Hartmut;  Jaudzems, Kristaps;  Barbet-Massin, Emeline;  Emsley, Lyndon;  Pintacuda, Guido;  Lesage, Anne;  Gronenborn, Angela M.;  Polenova, Tatyana
Favorite  |  View/Download:8/0  |  Submit date:2019/12/02
The Influence of Sodium Iodide Salt on the Interfacial Properties of Aqueous Methanol Solution by a Combined Molecular Simulation and Sum Frequency Generation Vibrational Spectroscopy Study 期刊论文
LANGMUIR, 2019, 卷号: 35, 期号: 21, 页码: 7050-7059
Authors:  Liu, Jianchuan;  Li, Xia;  Hou, Jian;  Li, Xun;  Lu, Zhou
Favorite  |  View/Download:15/0  |  Submit date:2019/07/26
Molecular Dynamics Simulation of Distribution and Diffusion Behaviour of Oil-Water Interfaces 期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 10, 页码: 13
Authors:  Zhang, Chengbin;  Dai, Hanhui;  Lu, Pengfei;  Wu, Liangyu;  Zhou, Bo;  Yu, Cheng
Favorite  |  View/Download:9/0  |  Submit date:2019/12/02
concentration distributions  interface roughness  oil-water interface  diffusion  
Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文
FUEL, 2019, 卷号: 242, 页码: 398-407
Authors:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan;  Liang, Ying-Hua
Favorite  |  View/Download:17/0  |  Submit date:2019/06/20
Gasification  Lignite  Mechanism  Sulfur  ReaxFF  
Nonadiabatic dynamics simulation of photoisomerization mechanism of photoswitch azodicarboxamide: Hydrogen bonding effects 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 236-239
Authors:  Liu, Yan;  Luo, Jian
Favorite  |  View/Download:8/0  |  Submit date:2019/06/20
Azobenzenes  Trans-cis  Light-driven  Advanced material  Surface hopping  
Structural insight into precursor tRNA processing by yeast ribonuclease P 期刊论文
SCIENCE, 2018, 卷号: 362, 期号: 6415, 页码: 657-+
Authors:  Lan, Pengfei;  Tan, Ming;  Zhang, Yuebin;  Niu, Shuangshuang;  Chen, Juan;  Shi, Shaohua;  Qiu, Shuwan;  Wang, Xuejuan;  Peng, Xiangda;  Cai, Gang;  Cheng, Hong;  Wu, Jian;  Li, Guohui;  Lei, Ming
Favorite  |  View/Download:17/0  |  Submit date:2019/06/20