Interaction between NaY Zeolite and boric Acid: a preliminary computational study
Authors
Abstract:
A computational study of the electronic structure and stability of complexes formed between Zeolite Y and boric acid was carried out at the HF and B3LYP levels using 6-31G* basis set. Five structures located as local minimum in PES of complex (structures d, e, f, g, and h). The most stable structure is formed due to hydrogen bonding between two hydroxyl of boric acid and both oxygen of AlO2 in Zeolite (structure e).
similar resources
interaction between nay zeolite and boric acid: a preliminary computational study
a computational study of the electronic structure and stability of complexes formed between zeolite y and boric acid was carried out at the hf and b3lyp levels using 6-31g* basis set. five structures located as local minimum in pes of complex (structures d, e, f, g, and h). the most stable structure is formed due to hydrogen bonding between two hydroxyl of boric acid and both oxygen of ...
full textstudy of dna interaction with ethylenediaminetetraacetic acid and sesamol food additives
برهمکنش dnaتیموس گاوی طبیعی (ct-dna) با اتیلن دی آمین تترااستات (edta)در بافرtris-hcl با 8/7 ph ( دراین ph،edta به نمک دی سدیم تبدیل می شود) وسسامول در بافر tris-hcl با4/7 ph مورد بررسی قرار گرفته است. edta و سسامول استفاده فراوانی در تکنولوژی غذایی و صنعت شیمیایی دارند. مدل اتصال dna مربوط بهedta بوسیله اسپکتروفتومتری جذب، دورنگ نمایی حلقوی(cd)، ویسکومتری وژل الکتروفورز بررسی شده است. طیفuv ...
15 صفحه اولA computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)
The binding energy and geometrical structure of all the possible dimeric systems of isothiocyanic acid (HNCS) with ozone have been investigated in the gas phase, theoretically. Six minima located on the singlet potential energy surface of the HNCS–ozone system at the MP2 level with binding energies (corrected with ZPE and BSSE) in the range 492.29–531.40 kcal/mol. All intermolecular interaction...
full texta comparative study of the relationship between self-, peer-, and teacher-assessments in productive skills
تمایل به ارزیابی جایگزین و تعویض آن با آزمون سنتی مداد و کاغذ در سالهای اخیر افزایش یافته است. اکثر زبان آموزان در کلاس های زبان از نمره نهایی که استاد تعیین میکند ناراضی اند. این تحقیق جهت بررسی ارزیابی در کلاس های زبان انگلیسی به هدف رضایتمندی زبان آموزان از نمره هایشان انجام گرفته است که در آن نمرات ارائه شده توسط سه گروه ارزیاب (ارزیابی خود دانشجو، همسالان واستاد) در مهارت های تولید (تکل...
15 صفحه اولthe relation between bilingualism and translation: a case study of turkish bilingual and persian monolingual translation students
translation studies have become an accepted academic subject and books, journals and doctoral dissertations appear faster than one can read them all (bassnet and lefevere, 1990). but this field also brought with itself so many other issues which needed to be investigated more, in the heart of which, issues like ideology, ethics, culture, bilingualism and multilingualism. it is reported that ove...
Na Nuclear Spin-Lattice Relaxation in Dehydrated Zeolite NaY*
The spin-lattice relaxation time T\ of 2 , N a N M R in dehydrated zeolite NaY has been measured from 26 to 300 K. The magnetization recovery curve is not single-exponential at all measured temperatures and 1 increases in proportion to the square of temperature above 200 K. The result is analyzed with a theory of the Raman process based on covalency. The value of T\ is compared with that of NaX...
full textMy Resources
Journal title
volume 1 issue 2
pages 57- 63
publication date 2013-07-01
By following a journal you will be notified via email when a new issue of this journal is published.
Keywords
Hosted on Doprax cloud platform doprax.com
copyright © 2015-2023