نتایج جستجو برای: nbo and nlo analysis

تعداد نتایج: 17270591  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت معلم تهران - دانشکده علوم 1370

determination of uranium in natural water and complex solutions using ion exchange chromatography: a combined procedure using ion exchange chromatography and uv-vis spectrophotometry techniques has been developed to measure uranum in natural water and complex solutions. after conditicing , one hundred milli liters of sample solutions have been passed through an ion exchange column,pachked with ...

2014
N. VENUGOPAL A. VIJAYA BHASKAR REDDY G. MADHAVI

The detection and quantification of potential genotoxic impurities (PGIs) play an important role in the pharmaceutical industry. The industry needs highly selective and sensitive analytical methods for trace level quantification of these PGIs in drug substances. A sensitive and stability indicating LC-MS/MS method was developed for the simultaneous detection and quantification of (S)-4-(4-amino...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیخ بهایی - دانشکده زبانهای خارجی 1391

even though, to date, a lot of studies have been conducted on the subject of politeness theory, there are very few studies regarding the applicability of this theory to translation between english and persian which shows the reason behind conducting the present study. this study was carried out with the aim of highlighting whether there is any difference between english and persian methods of u...

2012
S. Suresh A. Ramanand D. Jayaraman P. Mani

Nonlinear optical (NLO) materials play a major role in the field of photonics including optical information processing, sensor protector applications, data storage etc. Some organic compounds exhibit large NLO response, in many cases, orders of magnitude larger than widely known inorganic materials. The importance of amino acid in NLO application is due to the fact that all the amino acids, exc...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه مازندران - دانشکده علوم انسانی 1390

iv abstract this study examined the linguistic behaviors of two iranian efl teachers each of them teaching learners of two similar proficiency levels, a beginner level and an intermediate level, to investigate the relationship between the learners proficiency levels and the amounts and purposes for l1 use by the two teachers. the study was carried out to investigate whether there were differe...

Journal: :Physical review letters 2014
Anna M Staśto Bo-Wen Xiao David Zaslavsky

We present results from the first next-to-leading-order (NLO) numerical analysis of forward hadron production in pA and dA collisions in the small-x saturation formalism. Using parton distributions and fragmentation functions at NLO, as well as the dipole amplitude from the solution to the Balitsky-Kovchegov equation with running coupling, together with the NLO corrections to the hard coefficie...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه پیام نور - دانشگاه پیام نور استان تهران - دانشکده علوم ریاضی و مهندسی کامپیوتر 1392

heuristics are often used to provide solutions for flow shop scheduling problems.the performance of a heuristic is usually judged by comparing solutions and run times on test cases.this investigation proposes an analytical alternative ,called asymptotic convergence ,which tests the convergence of the heuristic to a lower bound as problem size grows. the test is a stronger variation of worst cas...

Journal: :journal of physical and theoretical chemistry 0
masoome sheikhi iran, islamic azad university siyamak shahab institute of physical organic chemistry, national academy of sciences of belarus,13 surganov str, minsk 220072, belarus

in the present work, the quantum theoretical calculations of the molecular structure of the 1-(1, 3-benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea has been predicted and are evaluated using density functional theory (dft) in gas phase. the geometry of the title compound was optimized by b3lyp/6-311+g and b3lyp/6-311+g* methods and the experimental geometrical parameters of the title compo...

Journal: :journal of physical & theoretical chemistry 2012
m. hesabi

the density functional theory (dft) and the natural bond orbital (nbo) calculations basedmethod b3lyp/6-31g were carried out to study the interaction of dopamine with carbon nanotube.the nanotube used in this study, includes 60 c atoms (6, 6) type. relative and formation energies ofcompounds, muliken charges, occupancy, the highest occupied molecular orbital (homo) and thelowest unoccupied mole...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تبریز - دانشکده کشاورزی 1389

abstract: since sugar consumption is directly related to diabetes and other illnesses such as obesity, the issue that will most heavily dominate the health food market is blood sugar management and low glycemic foods. using calcium chloride and gums such as sodium alginate and low ester pectin as thikener and a high-potency sweetener aspartame we were able to reduce sugar content of sour cherry...

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