Adsorption and Intermolecular Interaction of Cobalt Phthalocyanine on CoO(111) Ultrathin Films: An STM and DFT Study
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چکیده
منابع مشابه
DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O
In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...
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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 اولarchitecture and engineering of nanoscale sculptured thin films and determination of their properties
چکیده ندارد.
15 صفحه اولstudy the effects of low level laser diode on no production and healing of diabetic and cortisone acetate and normal wounded sd rats
nitric oxide (no) is a small molecule synthesized by most of mammalian cells with diverse biological activities including vasodilatation, host defense and wound healing. impaired wound healing is a common occurrence among diabetics and patients receiving glucocorticoid therapy. on the other hand the application of laser in biomedical area have been increased. thus, the current studies were desi...
15 صفحه اولCharacterization of intermolecular interaction between Cl2 and HX (X=F, Cl and Br): An ab initio, DFT, NBO and AIM study
The character of the intermolecular interactions in Cl2-HX (X =F, Cl and Br) complexes has been investigated by means of the second-order Möller–Plesset perturbation theory (MP2) and the density functional theory (DFT) calculations. The results show that there are two types of lowest interaction potential equilibrium structures in the interactions between Cl2 and HX: X∙∙∙Cl type geometry and hy...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2017
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.6b12337