نتایج جستجو برای: dft متیل استیلن

تعداد نتایج: 25800  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه فردوسی مشهد 1389

ما در این پژوهش با مدل سازی سامانه ، نقش عوامل خارجی(آلاینده ها) را بر ترابرد الکترونی سامانه به صورت نظری مورد مطالعه و بررسی قرار می دهیم. در این مدل از الکترودهای فلزی سه بعدی با سطح مقطع مربعی و از مولکول پلی استیلن در فاز ترانس به عنوان پل مولکولی بین دو الکترود فلزی استفاده می شود. با کاربرد مدل هامیلتونی بستگی قوی و روش های عددی مبتنی بر نظریه ی تابع گرین تعمیم یافته و هم چنین فرمول بن...

2012
Yi Qiu Chi Zhang Kenneth K. Y. Wong Kevin K. Tsia

Dispersive Fourier Transform (DFT) is a powerful technique for real-time and high-speed spectroscopy. In DFT, the spectral information of an optical pulse is mapped into time using group velocity dispersion (GVD) in the dispersive fibers with an ultrafast real-time spectral acquisition rate (>10 MHz). Typically, multi-mode fiber (MMF) is not recommended for performing DFT because the modal disp...

Journal: :Circulation 1986
R Ruffy K Schechtman E Monje J Sandza

The day-to-day variations in epicardial defibrillation threshold (DFT) were examined in closed-chest, unanesthetized dogs. In 11 animals, DFT decreased from 15.8 +/- 2.1 J (mean +/- SE) at the beginning of the study (day 1), to 7.4 +/- 1.7 J on day 2 (p less than .0001). DFT measured daily for 5 consecutive days in seven dogs decreased from 22.1 +/- 3.1 J on day 1 to 9.3 +/- 2.3 J on day 2 (p l...

Journal: :The Journal of chemical physics 2017
Jeng-Da Chai

We propose hybrid schemes incorporating exact exchange into thermally assisted-occupation-density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] for an improved description of nonlocal exchange effects. With a few simple modifications, global and range-separated hybrid functionals in Kohn-Sham density functional theory (KS-DFT) can be combined seamlessly with TAO-DF...

Journal: :Journal of the American College of Cardiology 2002
Gregory P Walcott Cheryl R Killingsworth William M Smith Raymond E Ideker

OBJECTIVES The goal of this study was to determine if the defibrillation threshold (DFT) after spontaneous ventricular fibrillation (VF) secondary to acute ischemia differs from the DFT for electrically induced VF in the absence of ischemia in anesthetized, closed-chest dogs and pigs. BACKGROUND The efficacy of external defibrillators has been tested mainly in animals and humans using E-VF, y...

In this paper an estimator of speech spectrum for speech enhancement based on Laplacian Mixture Model has been proposed. We present an analytical solution for estimating the complex DFT coefficients with the MMSE estimator when the clean speech DFT coefficients are mixture of Laplacians distributed. The distribution of the DFT coefficients of noise are assumed zero-mean Gaussian.The drived MMSE...

Journal: :Journal of physics. Condensed matter : an Institute of Physics journal 2012
Duy Le Abdelkader Kara Elsebeth Schröder Per Hyldgaard Talat S Rahman

The physisorption of the nucleobases adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U) on graphene is studied using several variants of the density functional theory (DFT): the generalized gradient approximation with the inclusion of van der Waals interaction (vdW) based on the TS approach (Tkatchenko and Scheffer 2009 Phys. Rev. Lett. 102 073005) and our simplified version of...

سید شمس الدین مهاجرزاده عباسعلی خدادادی فائزه باقری طار

بررسی حاضر بر روی زوج شدن اکسایشی متان در فشار اتمسفری و محیط پلاسمای سرد حاصل از تخلیه الکتریکی هالهdc متمرکز شده است. گونه های مختلف یونهای منفی اکسیژن حاصل از هاله مذکور ، در واکنش با متان،سبب ایجاد رادیکالهای آزاد متیل و شروع واکنش OCM می گردند. محصولات واکنش شامل هیدروکربنهای C2 (استیلن،اتیلن و اتان) وسایر گونه های کربنی نظیر رسوبات کربنی ، H2O.CO2 و گاز سنتز(H2+CO) می باشد. ترکیبات دیگری،...

Journal: :Annual review of physical chemistry 2012
M E Casida M Huix-Rotllant

The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s is based on the idea that the complicated N-electron wave function can be replaced with the mathematically simpler 1-electron charge density in electronic structure calculations of the ground stationary state. As such, ordinary DFT cannot treat time-dependent (TD) problems nor describe...

Journal: :CoRR 2013
Vilnis Liepins

This summary of the doctoral thesis [8] is created to emphasize the close connection of the proposed spectral analysis method with the Discrete Fourier Transform (DFT), the most extensively studied and frequently used approach in the history of signal processing. It is shown that in a typical application case, where uniform data readings are transformed to the same number of uniformly spaced fr...

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