Evaluation of DFT methods to study reactions of benzene with OH radical
نویسندگان
چکیده
منابع مشابه
from linguistics to literature: a linguistic approach to the study of linguistic deviations in the turkish divan of shahriar
chapter i provides an overview of structural linguistics and touches upon the saussurean dichotomies with the final goal of exploring their relevance to the stylistic studies of literature. to provide evidence for the singificance of the study, chapter ii deals with the controversial issue of linguistics and literature, and presents opposing views which, at the same time, have been central to t...
15 صفحه اولa comparative study of language learning strategies employmed by bilinguals and monolinguals with reference to attitudes and motivation
هدف از این تحقیق بررسی برخی عوامل ادراکی واحساسی یعنی استفاده از شیوه های یادگیری زبان ، انگیزه ها ونگرش نسبت به زبان انگلیسی در رابطه با زمینه زبانی زبان آموزان می باشد. هدف بررسی این نکته بود که آیا اختلافی چشمگیر میان زبان آموزان دو زبانه و تک زبانه در میزان استفاده از شیوه های یادگیری زبان ، انگیزه ها نگرش و سطح مهارت زبانی وجود دارد. همچنین سعی شد تا بهترین و موثرترین عوامل پیش بینی کننده ...
15 صفحه اولKinetic Study of Reactions between Nitrile Oxides with Simple Cycloalkynes with DFT Method
In this study, reactions of the simple cycloalkynes with substituted Nitrile Oxides, by DFT method will be discussed. The investigation of the structural properties, theoretical thermodynamic and kinetic data, i.e., the activation free energies(DG*), the free energies changes of reaction(DrG) and rate constants of the reactions (k) in 298 K and effects of Electron-withdrawing and...
متن کاملthe evaluation of language related engagment and task related engagment with the purpose of investigating the effect of metatalk and task typology
abstract while task-based instruction is considered as the most effective way to learn a language in the related literature, it is oversimplified on various grounds. different variables may affect how students are engaged with not only the language but also with the task itself. the present study was conducted to investigate language and task related engagement on the basis of the task typolog...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2011
ISSN: 0020-7608
DOI: 10.1002/qua.23089