نتایج جستجو برای: energy method
تعداد نتایج: 2204853 فیلتر نتایج به سال:
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
electronic effects were investigated on the singlet–triplet energy gaps of divalent unsaturated seven- membered ring r2c6h6m (m=c, si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) at b3lyp/6-311++g** level. all the triplet states of r2c6h6c were more stable than the related the singlet states while all the singlet states of r2c6h6m (m= si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) were more stable than th...
on this project we try to calculated power of hydrogen on dycarbonil compound in different ways ; the first way is shoster way , for sain power of hydrogen notice the different power between central conforms on it and main conform that’s didn’t have hydrogen joint . or in other way different of energy between open and close form. second way, is average way? this is for way that studied conf...
در این تحقیق اثر الکترونگاتیوی برای استخلاف های f, cl, no2 , cf3 برروی آروماتیسیته مولکول بنزن مورد مطالعه قرار گرفته است. nics, ase, homa, homo-lumo energy gapsشاخص هایی هستند که برای نمایش تاثیر استخلاف ها به کار برده می¬شوند.علاوه بر این الکترون های انتقالی توسط پیوند سیگما وپای نیز برای همه مولکول های استخلاف شده مورد نظر محاسبه شده¬اند.نتایج بدست آمده برای این روش ها با یکدیگر متفاوت است.ب...
nowadays energy has significant role in socio economic development of counties; any decision on energy sector may affect the broad area in societies. system approach in energy modeling as an efficient method is known by many researchers in management and planning in a country particularly in energy sector. also system dynamics is one of the efficient methods, for reason unique ability at solvin...
scattering of an incoming wave train by a discontinuity at the upper surface of the ocean over a uniform porous bottom of finite depth is considered here in the framework of linearized water wave theory. by employing residue calculus method, the reflection and transmission coefficient are obtained. these coefficients are computed numerically for different values of the porosity parameter g and ...
the solvatochromism of fluoresceine and its derivatives was studied in solvents of different hydrogen bond donor (hbd), hydrogen bond acceptor (hba), donor number (dn) and acceptor number (an) by their uv-vis spectra. results showed that position, intensity and shape of absorption bands change with type of solvent. these changes can be rationalized by solvatochromic parameters such as α, β, et ...
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the increasing needs for energy, its high price and its environmental impact on greenhouse gases emission and limited energy resources due to increased research on energy balance in crop production systems. the objective of this research was to compare seedbed preparation and sowing methods in wheat production in kordkoy region with respect to energy use and efficiency. fifteen wheat fields wer...
Recent developments in image quality, data storage, and computational capacity have heightened the need for texture analysis in image process. To date various methods have been developed and introduced for assessing textures in images. One of the most popular texture analysis methods is the Texture Energy Measure (TEM) and it has been used for detecting edges, levels, waves, spots and ripples b...
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