نتایج جستجو برای: quantum theory of atoms in molecules analysis qtaim solvent effect
تعداد نتایج: 24626508 فیلتر نتایج به سال:
abstract this study evaluated and compared medical terminology and english for the students of medicine (ii) as two representatives of the textbooks available on the iranian market for teaching english to the students of medicine. this research was performed on the basis of a teacher’s and a number of students’ attitudes and the students’ needs analysis for two reasons: first, to investigate...
Interaction of pure and Vn-doped (8, 0), (12, 0) and (16, 0) boron nitride nanotubes with CO molecules was studied using B3LYP/6-311++G(d) theoretical level. Substituting V instead of B atoms, increased the reactivity of nanotube. From the results, the complex stability depends on the direction and the number of the CO molecules interacted with the nanotube. In this work, the quantum...
in this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. the chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. a comparative analysis of the description of the metal-oxygen bond obtained by different methodologies is pr...
there is less published research about how teachers in efl contexts respond to students who are relatively less mature and less competent l2 writers. while writing researchers have examined various issues concerning peer and teacher response in writing-oriented classes, little research has centered on the effect of collaborative tasks particularly dictogloss on writing skills. output collaborat...
abstract this study evaluates the iranian pre-university english textbook in terms of needs, objectives, content, and methodology. the study was designed on the qualitative- quantitative survey basis using interviews and questionnaires, a researcher-made textbook evaluation checklist and a needs analysis questionnaire. the textbook evaluation questionnaire was used in this study to elicit the ...
چکیده: پژوهش حاضر به بررسی تطبیقی اعتماد اجتماعی در بین دبیران زن و مرد مقطع راهنمایی شهر ایلام می پردازد. امروزه در جوامع شاهد گسترش ارتباطات هستیم و با توجه به این که دامنه کنش های اجتماعی از حد روابط با آشنایان و دوستان فراتر رفته و به تعامل با کنشگران غربیه و نا آشنا گسترش یافته است، لزوم وجود اعتماد، بیش از پیش احساس می شود. اما با توجه به نقش دبیران در نهادهای آموزشی، در انتقال ارزش ها و...
let h be a separable hilbert space and let b be the set of bessel sequences in h. by using several interesting results in operator theory we study some topological properties of frames and riesz bases by constructing a banach space structure on b. the convergence of a sequence of elements in b is de_ned and we determine whether important properties of the sequence is preserved under the con...
tennessee williams (1911-1983), the modern american dramatist, had his own unique school of dramaturgy. the dramas which he depicted are populated by characters who are lonely, desperate, in anxiety, alienated and in one word lost. they face challenges which they may overcome or not, through the choices they make. all these moods and conditions are clearly seen and explained in the theory of ex...
Методом DFT B3LYP 6-311++G(3df,3pd) найдено распределение электронной плотности молекулы нафталина свободных радикалов - нафталил-1 и нафталил-2. В рамках квантовой теории атомов в молекуле (QTAIM) проведено исследование внутреннего строения выбранных соединений. Выявлены особенности радикалов, относительно места отрыва водорода. The method has been used to find the electron density distributio...
one of the applications of nanotechnology is use of carbon nanotubes for the targeted delivery of drug molecules. to demonstrate the physical and chemical properties of biomolecules and identify new material of drug properties, the interaction of carbon nanotubes (cnts) with biomolecules is a subject of many investigations. cnts is a synthetic compound with extraordinary mechanical, thermal, el...
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