We have studied the Fourier Transform Infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT) with a B3LYP/6-31G (d, p) level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental ...

The FTIR and FT-Raman spectra of metronidazolewere recorded in the regions 4000-400cm and 4000-400cmrespectively. The spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and Density Functional Method (B3LYP) with 6-31G(d,p) basis set. With the observed FTIR and FT-Raman data, a complete vibrational band assignment and analysis of the fundamental modes of the...

The mechanism of the cycloaddition reaction between singlet state dichlorosilylene germylidene (Cl2Si=Ge:) and acetone has been investigated with B3LYP/6-31G* and B3LYP/6-31G** method, from the potential energy profile, we predict that the reaction has one dominant reaction pathway. The presented rule of the reaction is that the two reactants firstly form a Si-heterocyclic four-membered ring ge...

The geometries of IO, HCIO, ICH2O, CH3IO, CH3OI, CH2IOH, and ICH2OH have been obtained at the HF and MP2(FU)/6-31G(d) levels of ab initio theory, and the HF/6-31G(d) frequencies are compared with experimental assignments where these are available. The Gaussian-2 method was used to provide thermochemical data for use in atmospheric and combustion modeling. Transition states that connect these sp...

Huisgen’s reaction of alkynes with Ozone (O 3 ), at its first step yielding carboxylic acids functional groups is, undoubtedly, an example of 1,3-dipolar cycloaddition reactions. Cycloadditions of 1,3-dipoles may occur by concerted mechanisms. The energy content in alkynes may be increased further by bending the normally linear triple bond, as in the small cycloalkynes. The strain energy in the...

Polycyclic aromatic hydrocarbons (PAHs) are a class of compounds consisting of more than twobenzene rings fused in a linear, angular, or clustered arrangement and do not contain hetero atomsor carry subsistent. PAHs originate from various sources. They are primarily formed byincomplete combustion of carbon-containing fuels such as wood, coal, diesel, fat, or tobacco. Thepresent study reports an...

In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used. Mechanical quantum calculations in theory level of B3LYP/6-31G were performed on structure of atenolol and nano fullerene atenolol with different positions...

Hanan Selman Hessan and Ahmed Mohammed Abbas 563 Abstract Immune status was examined after tonsillectomy operations in 30 children with recurrent acute tonsillitis, their ages ranged between 3-10 years, were clinically diagnosed by ENT surgeon at AlHilla General Teaching Hospital and 10 apparently healthy children were included as a control in the study which lasted from February to May 2011 .I...

هديکچ ت یحارط یارب ديدج شور کي هلاقم نيا رد تيوق ارا یطخ زاف اب هدرتسگ هدننک ئ يم ه دوش . شور نيا تيوقت و لاسروسنارت لاتيجيد رتليف یژولوپوت نيب تهابش یانبم رب يم هدرتسگ هدننک دشاب . نيا یانبم رب رواجم هقبط ود نيب ريخات رادقم و هدننک تيوقت زا هقبط ره نيگ یژولوپوت رتليف هيروف طسب زا هدافتسا اب Raise Cosine يم نييعت یروط یسناکرف هلصاف رد هک دوش 0-40 GHz تيوقت یطخ زاف هصخشم یاراد هدننک دشاب ه...

* لوئســ م هدنســ يون : ،نارــ هت ناــ بايخ ،رســ نارهت ناــ بايخ رسنارهت ميرك هاگنامرد ،رفولين راولب ،بيغتسد نفلت : 44506655 email: [email protected] فده و هنيمز : اب نمزم سامت تارثا لاّلح اه ناسنا تملاس رب يلآ ي هـتفرگ رارـق يسررب دروم فلتخم تاعلاطم رد اه اب سامت نيب هجوت لباق طابترا رگناشن هك لاّلح اه تيرفنولورمولگ و تسا هدوب اه . ركراـم يسررب هعلاطم نيا زا فده يويلك تيمس هب ساسح يرا...