نتایج جستجو برای: structure property relationship studies
تعداد نتایج: 3314396 فیلتر نتایج به سال:
This paper presents a review on recent progress in quantitative structure-property relationship (QSPR) studies of surfactants and applications of various molecular descriptors. QSPR studies on critical micelle concentration (cmc) and surface tension (gamma) of surfactants are introduced. Studies on charge distribution in ionic surfactants by quantum chemical calculations and its effects on the ...
objective(s): the structure- activity relationship of a series of 36 molecules, showing l-type calcium channel blocking was studied using a qsar (quantitative structure–activity relationship) method. materials and methods: structures were optimized by the semi-empirical am1 quantum-chemical method which was also used to find structure-calcium channel blocking activity trends. several types of d...
1- in a search directed to the reaction of compound)23(the cycloaddition reaction of 1,3- diphenylisobenzofurane)14(with p-benzoquinone)19(,followed by addition of cyclopentadiene was carried out.the specific spacial stracture of its ir,nmr,mass spectra. 2- in another attempt the kinetic stability and behavior of compounds)20(and)23(was studied.the main subject of this study was the highly reve...
THE PHYSICAL AND chemical properties of a compound are a function of its molecular structure. Structure-property relationships are developed by finding one or more molecular descriptors that explain variations in the physical or chemical properties of a group of congeners/analogs. While some descriptors can be determined experimentally, deriving them from either the two-dimensional (2-D) or thr...
abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...
New transport infrastructure may increase residential property values due to improved accessibility and increase commercial property values due to improved accessibility and possible agglomeration benefits. Classic urban location theory states that lower transport costs will result in higher land and property values. Theoretical parameters limit this relationship to an individual piece of trans...
Human Genetic Data is the key of most medical improvements. So it’s used in many researches in recent years and this has caused many legal and ethical issues. All of solutions are coming from this question that what is the legal relationship with their genetic information and what rights they can have that must be supported by legislator and respected by researchers. With the analysis of ...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید