???????i? ??i??i??????? ?? ??i???i????? ???? ???i?? ? ?????????? ???? ????i????? ???????? ?????i?????? ???????????i? ???????? ?i?i????? ???????????. ??????i?? i???????????? ?i?????? ??? ?????i ?????????i????? ?????????? (IEF-PCM) ?????????? ?????? ?????????? ???????????????? ?? ?i??i ????i? B3LYP/6-311++G(d,p). ??????i ??’???? ?i? ????????? ????????? ????i? ? ????????? (AIM) i ????????????? ???...

A DFT algorithm, the Extended Subband DFT (ESB−−DFT), is presented, which aims to overcome the problem of low accuracy the Subband DFT (SB−−DFT) algorithm suffers from, when applied in its approximate mode for signals with full spectrum. The proposed ESB−DFT is based upon the analysis of the input signal using a Filter Bank (FB) and the computation of its DFT from the lower length DFTs that cor...

background and aims. childhood obesity has been associated with high refined sugar intake. the relationship between sucrose intake and development of dental caries has been established. the aim of this study was to determine the association between age-specific body mass index (bmi-for-age) and dental caries in children. materials and methods. in this cross-sectional study a total of 1003 child...

در آشکار‌ساز CMS نسبت‌های انشعاب بوزون هیگز مدل استاندارد به جفت‌‌های J/ψ(1S) و cc ترتیب برابر 2-10×1/8 2-10×2/89 اندازه‌گیری شده است. لحاظ نظری یکی از سناریوهای ممکن برای تولید مستقیم این است که آغاز جفت واپاشی نماید سپس مرحله‌ی بعد هر یک کوارک‌های c طور مزون ترکش کنند. بر اساس سناریو مقاله بطریق کوارک‎های با استفاده نظریه اختلال مکانیک کوانتومی رنگ (pQCD) نظر گرفتن حالت‌های قطبش طولی عرضی محا...

The equations for the response terms for the fragment molecular orbital (FMO) method interfaced with the density functional theory (DFT) gradient are derived and implemented. Compared to the previous FMO-DFT gradient, which lacks response terms, the FMO-DFT analytic gradient has improved accuracy for a variety of functionals, when compared to numerical gradients. The FMO-DFT gradient agrees wit...