نتایج جستجو برای: quantum theory of atoms in molecules analysis qtaim solvent effect

تعداد نتایج: 24626508  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان - دانشکده مهندسی عمران 1391

today, scouring is one of the important topics in the river and coastal engineering so that the most destruction in the bridges is occurred due to this phenomenon. whereas the bridges are assumed as the most important connecting structures in the communications roads in the country and their importance is doubled while floodwater, thus exact design and maintenance thereof is very crucial. f...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه صنعتی اصفهان - دانشکده ریاضی 1389

one of the most important number sequences in mathematics is fibonacci sequence. fibonacci sequence except for mathematics is applied to other branches of science such as physics and arts. in fact, between anesthetics and this sequence there exists a wonderful relation. fibonacci sequence has an importance characteristic which is the golden number. in this thesis, the golden number is observed ...

Mehdi Esrafili, Mohammad Solimannejad

A quantum chemical investigation was carried out to study the properties of intermolecular F•••F, Br•••Br and Br•••O interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (BFNB). This system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. We found that fluorine atoms have weak ...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه دریانوردی و علوم دریایی چابهار - دانشکده مدیریت 1393

within communicative, interactive, and learner-centered framework of language teaching and learning, students need to learn four skills of listening, speaking, reading, and writing for their educational success. but of all the language skills, reading enjoys a paramount significance in so many second or foreign language academic contexts. in spite of its importance, language learners still have...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه پیام نور - دانشگاه پیام نور استان تهران - دانشکده علوم انسانی 1390

this study attempted to explore if teaching english collocations through two different modes of awareness-raising and input flooding has any possible differential effect on immediate retention as well as retention in a delayed assessment. it also compared the possible differential effect of teaching english collocations implicitly and explicitly on actively using the items in writing. m...

Journal: :Uzbek journal of physics 2023

In this work, the structural, electronic, and vibrational properties of L-asparagine were studied using Raman spectroscopy density functional theory (DFT) calculations. The molecular geometry zwitterionic (ZWASN) was optimized based on B3LYP/6-311++G(d,p) basis set. Intramolecular H-bonding in analyzed surfaces electrostatic potential (MEP), quantum atoms molecules (QTAIM), reduced gradient (RD...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شهرکرد - دانشکده ادبیات و علوم انسانی 1389

current studies in second language (l2) learning have revealed the positive role of corrective feedback (cf) in both oral and written forms in different language features. the present study was an attempt to investigate the effect of both direct and indirect written corrective feedback (wcf) on the use of grammatical collocations in l2 writing. the study also sought to examine whether the effec...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان - دانشکده ادبیات و علوم انسانی 1392

for any educational program to be successful, many factors work hand in hand. based on pervious efl studies, teachers and learners are the keys to gain achievement. granted the fact that explicit and implicit practice plays a key role in education, knowledge of it can help teachers facilitate students’ vocabulary learning. this study investigated to determine the contribution of explicit and i...

پایان نامه :0 1374

this thesis is going to delineate the concept of the reader as implied in 18th century literary theory; based on the study of the major reader oriented elements of criticism of the age-taste, the sublime, and aesthetic pleasure-its aim is to explain what sott of reader is implied and what kind of response on the part of the reader is proposed in 18th century english literary theory and aestheti...

A. Eghdami M. Monajjemi

Over the past decade, the chemical behavior of flavonoids as antioxidants has become the subject ofintense experimental research. In this paper, we use a quantum-chemical approach to shed light on thereactivity of four poly phenols, Benzoic acid, vanilic acid, gallic acid and flavone . In order to establishthe most efficient theoretical methodology, different methods, either Hartree—Fock-based ...

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