نیترامین های حلقوی عضو گروه بزرگی به نام پیش رانه ها هستند. اهمیت مطالعه محاسباتی در این زمینه به خاطر محدودیت این مواد که ناشی از خطرات انفجاری و ناپایداری شان است می باشد. در این کار گروهی از نیترامین های یک، دو، و سه حلقه ای، که با جانشین ساخت گروه های f-,h و no2 بر ساختمان آن ها طراحی شدند، مورد ارزیابی قرار گرفتند. در این مطالعه تمام مراحل به صورت آغازینبوده و از روش های rhf و b3lyp با ر...

چکیده ندارد.

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 main purpose of this research was to:1.develop a coking model for thermal cracking of naphtha.2.study coke inhibition methods using different coke inhibitors.developing a coking model in naphtha cracking reactors requires a suitable model of the thermal cracking reactor based on a reliable kinetic model.to obtain reliable results all these models shall be solved simultaneously.for this pu...

اسانس گیاهان (خشک شده در سایه)، tanacetum tenuisectum , tanacetum polycephalum به دو روش: 1- تقطیر با آب 2- برای اولین بار به روش میکرواستخراج فاز جامد در فضای فوقانی گرفته شد و به روش gc/ms مورد آنالیز و شناسایی واقع گردید. عمده ترکیبات اسانس سرشاخه های گلدار گیاه (tanacetum polycephalum) hydrodistillation % compounds 12.07 camphor 10.66 1, 8- cineole 9.57 chrysanthenyl acetate – t...

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in this work, a novel and fast method for direct analysis of volatile compounds (davc) of medicinal plants has been developed by holding a filament from different parts of a plant in the gc injection port. the extraction and analysis of volatile components of a small amount of plant were carried out in one-step without any sample preparation. after optimization of temperature, extraction time a...

abstract in first part of this project, the use of a new and biguanid-like catalyst supported on silica as a recyclable catalyst provides a new route for the synthesis of a variety of arylalkylidene rhodanine derivatives through knoevenagle reaction in at present of solvent at room temperature. rhodanine derivatives and especially arylalkylidene rhodanines have proven to be attractive compound...

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 ...