نتایج جستجو برای: quantum theory of atoms in molecules analysis qtaim solvent effect
تعداد نتایج: 24626508 فیلتر نتایج به سال:
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...
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 ...
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 ...
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...
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...
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...
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...
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...
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...
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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