用密度泛函理论(Density Functional Theory,DFT)方法,在B3LYP/6-31G(d,p)水平上对一种香豆素衍生物分子进行几何结构优化,得到其最稳定构型、分子能量及HOMO、LUMO轨道能量。在优化结构的基础上用同样的方法,在B3LYP/6-31G基组水平上计算了该分子的红外振动光谱和核磁共振1HNMR谱 ...
王刚 +6 more
core
[Multi-modal tumor boundary clustering recognition based on artificial intelligence virtual cells and near-infrared surgical field]. [PDF]
Li W, Wang T, Yang X, Zhou F.
europepmc +1 more source
本发明涉及一种近红外偏振干涉光谱仪。包括沿光路方向依次设置的光源组、准直离轴抛物面镜、第一冷光镜、起偏棱镜、补偿晶体、扫描光楔组件、检偏棱镜、第二冷光镜、会聚离轴抛物面镜和探测器;光源组包括通过单模光纤直接耦合输出的卤钨灯和用于发射标定光源的He-Ne激光器;探测器包括硅探测器和InGaAs探测器。本发明提供了一种结构简单的近红外偏振光干涉光谱仪。
齐文博 +4 more
core
[Self-designed experiment in instrumental analysis: online solid phase extraction-high performance liquid chromatography- post column derivatization for the determination of trace pesticide residues in vegetables]. [PDF]
Li Y +8 more
europepmc +1 more source
本发明涉及一种可调波片式偏振干涉成像光谱仪,包括第一检偏器、延迟量调节装置、第二检偏器以及光学成像探测系统;第一检偏器、延迟量调节装置以及第二检偏器依次设置在同一光轴上;光学成像探测系统与第二检偏器设置在同一光路上 ...
李旭阳, 马臻, 李英才
core
[Teaching practice of instrumental analysis course based on inquiry-based learning and critical thinking: a case study of competency development for pharmacy students]. [PDF]
Bo D.
europepmc +1 more source
[Isolation, purification and immunomodulatory activity of polysaccharide from <i>Lonicera caerulea</i> L. var. <i>edulis</i> Turcz. ex Herder]. [PDF]
Huang Y +6 more
europepmc +1 more source
[A deep transfer learning approach for cross-subject recognition of mental tasks based on functional near-infrared spectroscopy]. [PDF]
Zhang Y, Liu D, Gao F.
europepmc +1 more source

