نتایج جستجو برای: gaussian hf hyper chem
تعداد نتایج: 145747 فیلتر نتایج به سال:
چکیده مقدمه: پاتولین سمی خطرناک است که به وسیله انواع مختلفی از کپک ها تولید می شود. هدف از این مطالعه بررسی توانایی نانوذرات سلولز کونژوگه شده با پلی گوانین در جذب سم پاتولین در آب سیب های آلوده بود. روش بررسی: ابتدا نانوذرات سلولز سنتز و سپس با کمک کراس لینکر به مولکول پلی گوانین متصل گردید. سپس سریال غلظت پاتولین(1000 و 500 و 250 و 125 میکروگرم بر لیتر) در آب سیب تهیه و به همه آنها نانوذرات...
Hyper-tubes consisting of hyper-cubes of n-dimensions were designed and formulas for substructures of vary dimensions established.
We report on first applications of the Multi-Layer Gaussian-based Multi-Configuration Time-Dependent Hartree (ML-GMCTDH) method [Römer et al., J. Chem. Phys. 138, 064106 (2013)] beyond its basic two-layer variant. The ML-GMCTDH scheme provides an embedding a variationally evolving Gaussian wavepacket basis into hierarchical tensor representation wavefunction. A first-principles parameterized mo...
An array of SeaSonde HF radars has been deployed along the Oregon coast by P. M. Kosro of the College of Oceanic and Atmospheric Sciences, OSU. Data from a two-site HF array, which provides measurements of surface currents over a region about 50 km square, have been collected since November 1997. This project is aimed initially at developing and applying, in cooperation with Kosro, methods for ...
The thermal unimolecular dissociation of CH3F was studied in shock waves by monitoring the UV absorption of a dissociation product identified as CH2F. It is concluded that, under conditions applied, the formation of this species corresponds to a minor, spin-allowed, dissociation channel of about 3% yield. Near to the low-pressure limit of the reaction, on the other hand, the energetically more ...
Random generators or stochastic engines are a key component in the structure of metaheuristic algorithms. This work investigates the effects of non-Gaussian stochastic engines on the performance of metaheuristics when solving a real-world optimization problem. In this work, the bacteria foraging algorithm (BFA) was employed in tandem with four random generators (stochastic engines). The stochas...
در این کار، تاثیر اندازه کلاستر hf روی انتقال پروتون بین hf و آنیلید بوسیله روش های شیمی کوانتمی مورد بررسی قرار گرفته اند. تغییرات قدرت پیوند های هیدروزنی از طریق تغییر اندازه کلاستر hf به خوبی بوسیله انرزی های اتصال، پارامتر های ساختاری، توپوگرافی دانسیته الکترونی و انتقال بار نشان داده شده اند. نتایج ما برای کمپلکس با n=1 در سطح نظری(mp2/6-311++g(2d,2p نشان می دهد که ساختار دارای...
In this work, three types of natural clays including kaolinite, montmorillonite, and illite with different molecular structures, as adsorbents, are selected for the removal of methylene blue dye, and their performance is investigated. Also the optimization and the analysis of the dye adsorption mechanism are performed using the response surface methodology, molecular modeling, and experimental ...
Purpose Purpose The purpose of this study was to determine patient-specific risk factors and clinical intervention rates for abnormal postoperative Chem-7 panels in shoulder arthroplasty patients. Methods Retrospectively, all primary anatomic total (aTSA) and reverse shoulder (RTSA) arthroplasties (between 2007-2013) performed at a single institution were identified. All patients underwent ro...
This document provides proofs of the following: • The binomial distribution can be approximated with a Gaussian distribution at large values of N . • The arcsin square-root transform is the variance stabilising transform for the binomial distribution. • The Gaussian approximation for the binomial distribution is more accurate at smaller values of N after the variance stabilising transform has b...
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