نتایج جستجو برای: certain chemical structures
تعداد نتایج: 1097196 فیلتر نتایج به سال:
In this study, energy and chemical interaction of ZnO and CdS surfaces interfaced with metal-organic framework (MOF), to improve their properties, have been investigated using density functional theory (DFT). Results show that reformation of structures by hybridation with MOF can increase their stability and improve their properties. Comparison of ZnO and CdS structures predict that deposition ...
Semi-empirical PM3 calculations are made for the electronic absorption spectra of colored forms nonmethylated anthocyanidins (aurantinidin, pelargonidin, cyanidin, and delphinidin). The position band peak is shown to depend on orientation hydroxyl groups in aglycone structure. observed tendency toward a bathochromic shift after ОН added ring generally corresponds experimental data. results unch...
This study based on free vibration analysis and study the behavior of framed structure under different frequency of vibration using ANSYS software and shaking table. A small scale uni-axial shaking table was prepared in laboratory, which can produce lower to moderate vibration, regarding frequency and velocity. Moment resisting framed structures constructed with connecting beam and column eleme...
Density functional theory methods(DFT) and natural bond orbital (NBO) analysis were used to investigate the effects of isomerism and side chain mutation at a microscopic level on the stability, binding energy and NMR/NQR tensors of structural isomers, L- methionylasparagine (Met-Asn) and L- asparagylmethionine (Asn-Met) in the gas phase. The results represented that the isomerism and side chain...
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