搜索结果: 1-7 共查到“化学 Electrostatic”相关记录7条 . 查询时间(0.106 秒)
A Solvatochromic Model Calibrates Nitriles' Vibrational Frequencies to Electrostatic Fields
Solvatochromic Model Calibrates Vibrational Frequencies Electrostatic Fields
2016/5/25
Electrostatic interactions provide a primary connection between a protein's three-dimensional structure and its function. Infrared probes are useful because vibrational frequencies of certain chemical...
Electrostatic Fields Near the Active Site of Human Aldose Reductase:2.New Inhibitors and Complications Caused by Hydrogen Bonds
Humans Nitriles Aldehyde Reductase Spectrophotometry, Infrared Spectroscopy, Fourier Transform Infrared Binding Sites Catalytic Domain Protein Binding Kinetics Hydrogen Bonding
2016/5/25
Vibrational Stark effect spectroscopy was used to measure electrostatic fields in the hydrophobic region of the active site of human aldose reductase (hALR2). A new nitrile-containing inhibitor was de...
Do Ligand Binding and Solvent Exclusion Alter the Electrostatic Character within the Oxyanion Hole of an Enzymatic Active Site
Pseudomonas putida Thiocyanates Anions Oxygen Steroid Isomerases Ligands Spectroscopy, Fourier Transform Infrared Kinetics Binding Sites Static Electricity
2016/5/24
The thousands of enzyme structures solved to date have consistently revealed that biological catalysis occurs within sequestered pockets containing complex interdigitations of polar and hydrophobic gr...
Vibrational Stark Spectroscopy of NO Bound to Heme:Effects of Protein Electrostatic Fields on the NO Stretch Frequency
rare earth alloys X-ray diffraction crystal structure phase diagram
2016/5/23
The vibrational Stark effect measures the effect of an external electric field on the vibrational (IR) spectrum of a molecule. This technique gives quantitative information on the sensitivity of a vib...
Making the best of mixed-field orientation of polar molecules: A recipe for achieving adiabatic dynamics in an electrostatic field combined with laser pulses
mixed-field orientation of polar molecules recipe adiabatic dynamics electrostatic field laser pulses Chemical Physics
2012/4/24
We have experimentally and theoretically investigated the mixed-field orientation of rotational-state-selected OCS molecules and we achieve strong degrees of alignment and orientation. The applied mod...
Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potential
derivative discontinuity Prediction density functional theory electrostatic description correlation potential
2011/8/5
Abstract: We propose a new approach to approximate the exchange and correlation (XC) functional in density functional theory. The XC potential is considered as an electrostatic potential, generated by...
层层静电自组装构筑壳聚糖/磷钨酸复合膜的研究（Construction of Composite Thin Films via Layer-by-layer Electrostatic Self-assembly of Chitosan/Phosphotungstate Acid）
壳聚糖/磷钨酸复合膜 层层自组装 多层膜
2010/8/24
将正电荷的壳聚糖与负电荷的磷钨酸溶液通过静电作用交替沉积在基底上组装复合多层膜。使用紫外可见光谱(UV-Vis)、红外光谱(FTIR)、X-射线光电子能谱(XPS)、原子力显微镜(AFM)和循环伏安法(CV)等手段对复合膜进行了表征。UV-Vis结果显示多层膜在特征吸收峰处的吸光度数值随膜双层数增加逐渐增大，呈良好的线性关系，表明多层膜是均匀组装的；XPS和FTIR结果证实了壳聚糖和磷钨酸被组装到...