Subjects -> CHEMISTRY (Total: 928 journals)
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CHEMISTRY (661 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
Accounts of Materials Research     Hybrid Journal   (Followers: 8)
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 32)
ACS Applied Polymer Materials     Hybrid Journal   (Followers: 14)
ACS Catalysis     Hybrid Journal   (Followers: 56)
ACS Chemical Neuroscience     Hybrid Journal   (Followers: 26)
ACS Combinatorial Science     Hybrid Journal   (Followers: 13)
ACS Environmental Au     Open Access   (Followers: 10)
ACS Macro Letters     Hybrid Journal   (Followers: 29)
ACS Materials Letters     Open Access   (Followers: 7)
ACS Medicinal Chemistry Letters     Hybrid Journal   (Followers: 45)
ACS Nano     Hybrid Journal   (Followers: 213)
ACS Photonics     Hybrid Journal   (Followers: 16)
ACS Symposium Series     Full-text available via subscription   (Followers: 5)
ACS Synthetic Biology     Hybrid Journal   (Followers: 36)
Acta Chemica Malaysia     Open Access   (Followers: 2)
Acta Chimica Slovaca     Open Access   (Followers: 4)
Acta Chimica Slovenica     Open Access   (Followers: 4)
Acta Chromatographica     Full-text available via subscription   (Followers: 9)
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 10)
Acta Scientifica Naturalis     Open Access   (Followers: 4)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 9)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 12)
Adsorption Science & Technology     Open Access   (Followers: 9)
Advanced Electronic Materials     Hybrid Journal   (Followers: 12)
Advanced Functional Materials     Hybrid Journal   (Followers: 76)
Advanced Journal of Chemistry, Section A     Open Access   (Followers: 4)
Advanced Journal of Chemistry, Section B     Open Access   (Followers: 1)
Advanced Science Focus     Free   (Followers: 8)
Advanced Theory and Simulations     Hybrid Journal   (Followers: 4)
Advanced Therapeutics     Hybrid Journal   (Followers: 1)
Advances in Chemical Engineering and Science     Open Access   (Followers: 122)
Advances in Chemical Science     Open Access   (Followers: 52)
Advances in Chemistry     Open Access   (Followers: 37)
Advances in Chemistry     Full-text available via subscription   (Followers: 9)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 15)
Advances in Environmental Chemistry     Open Access   (Followers: 13)
Advances in Enzyme Research     Open Access   (Followers: 10)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 8)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 34)
Advances in Nanoparticles     Open Access   (Followers: 17)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Polymer Science     Hybrid Journal   (Followers: 49)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 18)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 5)
Advances in Sample Preparation     Open Access   (Followers: 5)
Advances in Science and Technology     Full-text available via subscription   (Followers: 18)
Aerosol Science and Engineering     Hybrid Journal   (Followers: 2)
African Journal of Chemical Education     Open Access   (Followers: 6)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 6)
Aggregate     Open Access   (Followers: 1)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alchemy : Journal of Chemistry     Open Access   (Followers: 2)
Alchemy : Jurnal Penelitian Kimia     Open Access  
Alfarama Journal of Basic & Applied Sciences     Open Access   (Followers: 4)
Alotrop     Open Access  
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 45)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 21)
American Journal of Chemistry     Open Access   (Followers: 37)
American Journal of Plant Physiology     Open Access   (Followers: 9)
Analyst     Hybrid Journal   (Followers: 35)
Analytical Science Advances     Open Access   (Followers: 1)
Angewandte Chemie     Hybrid Journal   (Followers: 166)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 267)
Annales Universitatis Mariae Curie-Sklodowska, sectio AA – Chemia     Open Access   (Followers: 1)
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 6)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 4)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 5)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 14)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 13)
Antiviral Chemistry and Chemotherapy     Open Access   (Followers: 1)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 7)
Applied Spectroscopy     Full-text available via subscription   (Followers: 20)
Applied Surface Science     Hybrid Journal   (Followers: 31)
Arabian Journal of Chemistry     Open Access   (Followers: 4)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Applied Chemistry Research     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 2)
Asian Journal of Chemical Sciences     Open Access   (Followers: 1)
Asian Journal of Chemistry and Pharmaceutical Sciences     Open Access  
Asian Journal of Physical and Chemical Sciences     Open Access   (Followers: 2)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 8)
Autophagy     Hybrid Journal   (Followers: 8)
Biochemical Pharmacology     Hybrid Journal   (Followers: 10)
Biochemistry     Hybrid Journal   (Followers: 242)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 5)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 5)
Biointerface Research in Applied Chemistry     Open Access  
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 2)
Biomacromolecules     Hybrid Journal   (Followers: 24)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 6)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 3)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 84)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 61)
Bioorganic Chemistry     Hybrid Journal   (Followers: 7)
Biopolymers     Hybrid Journal   (Followers: 15)
Biosensors     Open Access   (Followers: 3)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 3)
Bitácora Digital     Open Access  
Boletin de la Sociedad Chilena de Quimica     Open Access  
Bulletin of Institute of Chemistry and Chemical Technology, Mongolian Academy of Sciences     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 1)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 25)
Bulletin of the Korean Chemical Society     Hybrid Journal   (Followers: 1)
C - Journal of Carbon Research     Open Access   (Followers: 5)
Cakra Kimia (Indonesian E-Journal of Applied Chemistry)     Open Access  
Canadian Association of Radiologists Journal     Full-text available via subscription   (Followers: 1)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 11)
Canadian Mineralogist     Full-text available via subscription   (Followers: 5)
Carbohydrate Polymer Technologies and Applications     Open Access  
Carbohydrate Polymers     Hybrid Journal   (Followers: 11)
Carbohydrate Research     Hybrid Journal   (Followers: 23)
Carbon     Hybrid Journal   (Followers: 64)
Carbon Capture Science & Technology     Open Access   (Followers: 1)
Carbon Trends     Open Access   (Followers: 7)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 9)
Catalysis Science and Technology     Hybrid Journal   (Followers: 10)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 4)
Catalysts     Open Access   (Followers: 12)
Cell Reports Physical Science     Open Access  
Cellulose     Hybrid Journal   (Followers: 8)
Cereal Chemistry     Full-text available via subscription   (Followers: 4)
Chem     Hybrid Journal   (Followers: 6)
Chem Catalysis     Hybrid Journal   (Followers: 1)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 3)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 22)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Hybrid Journal   (Followers: 83)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 27)
Chemical Physics Impact     Full-text available via subscription   (Followers: 1)
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 4)
Chemical Research in Toxicology     Hybrid Journal   (Followers: 22)
Chemical Reviews     Hybrid Journal   (Followers: 204)
Chemical Science     Open Access   (Followers: 43)
Chemical Science International Journal     Open Access  
Chemical Technology     Open Access   (Followers: 75)
Chemical Thermodynamics and Thermal Analysis     Open Access   (Followers: 3)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 4)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 39)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 18)
ChemInform     Hybrid Journal   (Followers: 5)
Chemistry     Open Access  
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Industry     Full-text available via subscription   (Followers: 6)
Chemistry - A European Journal     Hybrid Journal   (Followers: 134)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 20)
Chemistry Africa : A Journal of the Tunisian Chemical Society     Hybrid Journal  
Chemistry and Materials Research     Open Access   (Followers: 18)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 6)
Chemistry Education Review     Open Access   (Followers: 1)
Chemistry in Education     Open Access   (Followers: 4)
Chemistry Letters     Full-text available via subscription   (Followers: 43)
Chemistry of Heterocyclic Compounds     Hybrid Journal   (Followers: 5)
Chemistry of Materials     Hybrid Journal   (Followers: 181)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 10)
Chemistry World     Hybrid Journal   (Followers: 20)
Chemistry-Didactics-Ecology-Metrology     Open Access  
ChemistryOpen     Open Access   (Followers: 1)
ChemistrySelect     Hybrid Journal  
Chemistry–Methods     Open Access   (Followers: 3)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
ChemNanoMat     Hybrid Journal   (Followers: 1)
Chemoecology     Hybrid Journal   (Followers: 2)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 13)
Chemosensors     Open Access   (Followers: 1)
ChemPhotoChem     Hybrid Journal  
ChemPhysChem     Hybrid Journal   (Followers: 12)
ChemPhysMater     Full-text available via subscription  
ChemPlusChem     Hybrid Journal   (Followers: 2)
Chempublish Journal     Open Access  
ChemSystemsChem     Hybrid Journal   (Followers: 1)
ChemTexts     Hybrid Journal   (Followers: 1)
CHIMIA International Journal for Chemistry     Open Access   (Followers: 2)
Chinese Journal of Chemistry     Hybrid Journal   (Followers: 6)
Chinese Journal of Polymer Science     Hybrid Journal   (Followers: 9)
Chromatographia     Hybrid Journal   (Followers: 21)
Chromatography     Open Access   (Followers: 3)
Chromatography Research International     Open Access   (Followers: 4)
Ciencia     Open Access  
Clay Minerals     Hybrid Journal   (Followers: 9)
Cogent Chemistry     Open Access   (Followers: 3)
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 6)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 8)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 2)
Combustion Science and Technology     Hybrid Journal   (Followers: 25)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 1)
Communications Chemistry     Open Access   (Followers: 2)
Communications Materials     Open Access  
Composite Interfaces     Hybrid Journal   (Followers: 6)

        1 2 3 4 | Last

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Biointerface Research in Applied Chemistry
Number of Followers: 0  

  This is an Open Access Journal Open Access journal
ISSN (Print) 2069-5837
Published by Comporter SRL Homepage  [2 journals]
  • Anisotropic Bianchi type-III perfect fluid cosmological models in f(R, T)
           theory of gravity

    • Abstract: Abstract Einstein’s field equations are considered for spatially homogeneous and anisotropic Bianchi type-III space–time in presence of a perfect fluid within the framework of f(R, T) theory of gravity. Algorithms are derived to generate new classes of solutions of field equations starting from known solutions to the same type. Starting with the solution of Reddy and coworkers, new classes of Bianchi type-III cosmological models in f(R, T) gravity theory are generated. Kinematical and physical behaviors of the cosmological models are discussed. These models may be physically significant for discussion on early stages of evolution of the universe.
      PubDate: 2013-12-01
  • Dependence of solar mixing angle on CP violating phase δ under deviation
           from tri-bimaximal mixing

    • Abstract: Abstract We deviate tri-bimaximal neutrino mixing with the help of charged lepton mixing matrix U lL which has a structure similar to that of Cabibbo–Kobayashi–Maskawa (CKM) matrix. To enter CP violating phase δ into rotation matrix, we follow a novel method discussed by Fritzsch and Xing which is different from the standard particle data group one. Under such charged lepton correction ansatz we note that $\tan^2 \theta_{12}$ becomes dependent on δ, from where constraints on δ phase can be obtained after employing experimental range of mixing angles. To compute numerical values of mixing angles we employ Wolfenstein parameterization of CKM matrix. We discuss implication of dependence of the physical observable parameters of neutrino oscillation on the choice of type of parameterization of the matrix.
      PubDate: 2013-12-01
  • Three dimensional peristaltic flow of Williamson fluid in a rectangular

    • Abstract: Abstract In present article, three dimensional peristaltic flow of a Williamson fluid model in rectangular channel has been discussed. The flow is unsteady and caused by propagation of sinusoidal waves due to peristaltic pumping. The equations of motion are derived for constitutive relation of Williamson model and are finally simplified under restrictions of low Reynolds number and long wavelength. The highly nonlinear and nonhomogeneous partial differential equations are solved by using homotopy perturbation method with combination of eigen function expansion method. The expression for pressure rise is found numerically. The final calculations for velocity, pressure gradient, pressure rise and stream functions are narrated graphically.
      PubDate: 2013-12-01
  • Optical properties of green synthesized ZnO nanocomposites

    • Abstract: Abstract A green synthesis route using starch as a capping agent was effectively employed to synthesize ZnO nanostructures through chemical bath deposition. Sodium borohydride was used in one of the approaches in synthesis. Broadening of X-ray diffraction peaks suggested formation of nanosize ZnO in agreement with the high resolution transmission electron microscopy images. As-synthesized ZnO nanostructures were polycrystalline having wurtzite type structure. Average size of the particles was about 8 nm which was in close agreement with measurements from optical studies. Starch was found to play a key role in bringing the strong quantum confinement in ZnO particles. Optical absorption edge was found to be around 240–275 nm which exhibited a clear large blue shift and thereby enhancement of band gap energy. A strong green photoluminescence emission at 604.5 nm was observed in ZnO nanoparticles synthesized using sodium borohydride and may be attributed to the defect controlled recombination mechanism.
      PubDate: 2013-12-01
  • Influence of composition on structural, electrical and optical
           characterizations of Bi48−x Sb x Se52 ternary chalcogenide system

    • Abstract: Abstract Polycrystalline alloys of Bi48−x Sb x Se52 (where x = 0.6, 25, 35 and 44 at.%) were prepared by direct monotemperature technique. The surface morphology, crystalline nature and compositional analysis were studied using scanning electron microscopy, X-ray diffraction (XRD) and energy dispersive X-ray spectroscopy (EDX), respectively. The XRD patterns recorded for the Bi48−x Sb x Se52 showed that these materials were polycrystalline in nature. Compositional analysis by EDX technique confirmed the nearly stoichiometric structure for the prepared alloys. The dielectric properties of the samples were investigated in the frequency range (102–105 Hz). The optical measurements revealed that the Bi48−x Sb x Se52 alloys were direct band gap semiconductors. The activation energy and optical band gap were found to increase with increasing Sb concentration in Bi48−x Sb x Se52.
      PubDate: 2013-12-01
  • Exact analytical versus numerical solutions of Schrödinger equation for
           Hua plus modified Eckart potential

    • Abstract: Abstract In this paper, s-wave Schrödinger equation with Hua plus modified Eckart potential is investigated. The eigenfunctions as well as energy eigenvalues are obtained in an exact analytical manner and compared with results obtained from finite difference method. Some special cases of this potential are also studied.
      PubDate: 2013-12-01
  • Studies on mechanical properties of titanium aluminium nitride coatings

    • Abstract: Abstract Vickers and Knoop microhardness studies have been carried out on titanium aluminium nitride (TiAlN) hard coatings deposited on WC-12Co substrates. The microhardness test has been studied as a function of applied loads varying from 0.49 to 9.8 N. The normal indentation size effect has been observed in Vickers and Knoop microhardness test. It follows that increase in microhardness at lower loads (up to 9.8 N) depends inversely on elastic modulus of the hard coatings. Knoop microhardness test shows that microhardness values decrease with increase in applied load. The elastic stiffness constants have been calculated using Wooster’s empirical relation. Young’s modulus is found to be 378.18 GPa. Also hardness anisotropy has been performed with respect to the orientation of the TiAlN coatings from Knoop microhardness test. Morphology of indented imprints of the coatings has been examined using scanning electron microscopy.
      PubDate: 2013-12-01
  • Characteristics of compound multiplicity in 84Kr36 with various light and
           heavy targets at 1 GeV per nucleon

    • Abstract: Abstract Interactions of 84Kr36 having kinetic energy around 1 GeV per nucleon with NIKFI BR-2 nuclear emulsion detector’s target reveal some of the important features of compound multiplicity. Present article shows that width of compound multiplicity distributions and value of mean compound multiplicity have linear relationship with mass number of the projectile colliding system.
      PubDate: 2013-12-01
  • Physical properties of MgSe thin films grown by chemical bath deposition
           method: effect of molar concentration of MgCl2

    • Abstract: Abstract In the present paper, we have reported the effect of molar concentration of Mg salt on physical properties of MgSe thin films deposited by chemical bath deposition process. The MgSe thin films have been characterized for their structural, morphological and optical studies. We have observed that the films are nanocrystalline in nature with cubic lattice. The optical band gap energy of MgSe is changed from 2.82 to 2.65 eV depending on Mg ion concentration in deposition bath. The electrical resistivity of MgSe film varies from 56 × 102 to 41 × 102 Ω cm depending on Mg ion concentration in reaction bath. The thermo-emf measurement has confirmed p-type conductivity of MgSe.
      PubDate: 2013-12-01
  • Tunnel magnetoresistance of molecular junctions: endohedral fullerenes

    • Abstract: Abstract In this paper, the spin-polarized electron transport through a $ Ca^{2 + } @C_{N} $ (N = 60 and 70) molecule coupled to magnetic contacts has been studied theoretically. Our focus is on how displacement and movement direction of ion inside the cage and cage type affect on tunnel magnetoresistance (TMR) ratios of $ Ca^{2 + } @C_{60} $ and $ Ca^{2 + } @C_{70} $ molecules. Changes in displacement and movement direction of ion inside the cage can lead to changes in sign of TMR. TMR ratios in $ Ca^{2 + } @C_{N} $ molecules vary from 60 to −40 % corresponding to the cage type and displacement and movement direction of the ion inside cage.
      PubDate: 2013-12-01
  • Ultrasonic measurements for Al alloy under quasi-hydrostatic pressure

    • Abstract: Abstract The sound velocities of longitudinal and transverse waves of LY12Al are measured under quasi-hydrostatic pressure in a six-side anvil cell using pulse echo overlap technique. From measured sound velocities, the calculated adiabatic bulk modulus is 76.32 GPa. The results are found to be higher than the data obtained under low hydrostatic pressure. The reasons for the differences are analyzed. Different sample assemblies are also considered.
      PubDate: 2013-12-01
  • Study of molecular interactions in binary mixtures of 2-chloro-4′methoxy
           benzoin with various solvents through ultrasonic speed measurements

    • Abstract: Abstract Density (ρ) and ultrasonic velocity (U), for binary mixtures of 2-chloro-4′-methoxy benzoin with ethanol, chloroform, acetonitrile, benzene and 1,4-dioxane of different compositions have been measured at 298 K and explanation of solute solvent interactions and effect of polarity of the solvent on type of interactions are presented in this paper. From the above data, adiabatic compressibility (β), intermolecular free length (L f ) and relative association (R A ) have been calculated. Other useful parameters such as excess density, excess velocity, excess intermolecular freelength and excess adiabatic compressibility have also been calculated. These parameters have been used to study the nature and extent of intermolecular interactions between component molecules in present binary mixtures.
      PubDate: 2013-12-01
  • Analytical traveling wave and soliton solutions of the generalized
           nonautonomous nonlinear Schrödinger equation with an external potential

    • Abstract: Abstract A class of analytical traveling wave and soliton solutions to generalized nonautonomous nonlinear Schrödinger equation with an external potential are constructed by using homogeneous balance principle and F-expansion technique. Constraint conditions for analytical solutions are obtained at the same time which admit different types of external potentials. Various types of analytical traveling waves and soliton solutions are studied in detail. Stability analysis of the solutions is discussed numerically. Results show that stable propagation of solitons can be maintained in nonuniform distributed nonlinear media.
      PubDate: 2013-12-01
  • Nonlinear analysis of dynamic signature

    • Abstract: Abstract Signature is a long trained motor skill resulting in well combination of segments like strokes and loops. It is a physical manifestation of complex motor processes. The problem, generally stated, is that how relative simplicity in behavior emerges from considerable complexity of perception–action system that produces behavior within an infinitely variable biomechanical and environmental context. To solve this problem, we present evidences which indicate that motor control dynamic in signing process is a chaotic process. This chaotic dynamic may explain a richer array of time series behavior in motor skill of signature. Nonlinear analysis is a powerful approach and suitable tool which seeks for characterizing dynamical systems through concepts such as fractal dimension and Lyapunov exponent. As a result, they can be analyzed in both horizontal and vertical for time series of position and velocity. We observed from the results that noninteger values for the correlation dimension indicates low dimensional deterministic dynamics. This result could be confirmed by using surrogate data tests. We have also used time series to calculate the largest Lyapunov exponent and obtain a positive value. These results constitute significant evidence that signature data are outcome of chaos in a nonlinear dynamical system of motor control.
      PubDate: 2013-12-01
  • Topological solitons, cnoidal waves and conservation laws of coupled wave

    • Abstract: Abstract In this paper a few coupled wave equations that arise in the dynamics of two-layered shallow water waves in ocean shores and beaches have been studied. The mapping method is applied to extract cnoidal waves and solitary wave solutions to the coupled Korteweg–de Vries (KdV) equation, coupled Boussinesq equation and the coupled Whitham–Broer–Kaup equation. The ansatz method is also applied to obtain topological 1-solution to the coupled KdV equation with power law nonlinearity. The multiplier method then gives a few conserved quantities of the coupled KdV equation.
      PubDate: 2013-12-01
  • Structural studies on picolinium maleate crystal by density functional

    • Abstract: Abstract The optimized geometry and vibrational frequencies of picolinium maleate (PM), an organic non-linear optical material, was obtained by ab initio DFT/B3LYP level with complete relaxation in the potential energy surface using 6-311G(d,p) basis sets. The Fourier-transform infrared (FT-IR) spectrum of PM was recorded in the region 4,000–400 cm−1. The harmonic vibrational frequencies were calculated and scaled values had been compared with experimental FT-IR spectrum. The optical non-linearity arose from intermolecular hydrogen bonding between centro-symmetric picolinic acid and maleic acid. The DFT study was aimed at identifying intermolecular hydrogen bonding nature and comparing the calculated values with the XRD data. Analysis of experimental 13C shielding parameters was supported by DFT theoretical calculations carried out within the gauge-including atomic orbital and the spectra estimations were performed using ChemPro 8.0. It was found that chemical shifts obtained with ChemPro 8.0 were due to the substitution effects. The charge density distribution and site of chemical reactivity of molecules were obtained by mapping electron density isosurface with electrostatic potential surfaces. The scaled frequencies are comparable with the experimental frequencies. Energy span as calculated by ZINDO method, between the highest occupied molecular orbital and the lowest unoccupied molecular orbital of PM is −8.9697 and −1.5477 eV.
      PubDate: 2013-12-01
  • Numerical solutions of Magnetohydrodynamic boundary layer flow of tangent
           hyperbolic fluid towards a stretching sheet

    • Abstract: Abstract In the present article, we have studied the two dimensional tangent hyperbolic fluid flow towards a stretching sheet with a magnetic field. Governing equations for the proposed model are modelled and then simplified using boundary layer approach and similarity transformations. Simplified governing equations are then solved numerically with the help of fourth and fifth order Runge–Kutta–Fehlberg method. Physical features of the involved parameters are presented and discussed.
      PubDate: 2013-11-01
  • Structural and optical properties of pure and Al doped ZnO nanocrystals

    • Abstract: Abstract Pure and Al doped zinc oxide (ZnO) were prepared by co-precipitation method. The dopant concentration [Al/Zn in atomic percentage (wt%)] was varied from 0 to 3 wt%. Structural characterisation of the samples performed with XRD and SEM–EDAX confirmed that polycrystalline nature of samples containing ZnO nanoparticles of size in the range of 97–47 nm. UV–Vis studies showed that the absorbance peaks, observed in the wavelength range of 800–250 nm, decreased with the increase in dopant concentration indicating widening of the band gap. The calculations of band gap (analyzed in terms of Burstein–Moss shift) from the reflectance showed an increase from 3.37 to 3.49 eV with increasing Al concentration.
      PubDate: 2013-11-01
  • Density functional theory study of MnY N (N = 2–13) clusters

    • Abstract: Abstract We predict that doped Mn atoms can not efficiently improve magnetism of yttrium clusters in most cases, which is different from Mn–Ge, Mn–Bi and Mn–B complexes. The calculated results show that the ground state structures of MnY N clusters favor growth patterns of octahedron structures, with Mn atom occupying the center of yttrium framework at N ≥ 6. There are three minima of the HOMO–LUMO gap with N = 6, 10 and 13 which can be mainly attributed to obvious elevation of energy level of the HOMO. The computed magnetic moment per atom displays size-dependent behavior with oscillational odd–even character. The Mulliken population analysis shows that the doped Mn atom, with antiferromagnetic alignment at N = 5, 9, 11 and 13, tends to reduce the magnetic moment of the system of N ≥ 6. Both structure and chemical bonding are responsible for the variation of magnetism of Mn doped yttrium clusters.
      PubDate: 2013-11-01
  • Transverse momentum distribution of particles in high energy collisions
           and relativistic temperature transformation

    • Abstract: Abstract Based on kinetic theory of ideal gas, the present work gives an indirect measurement on relativistic temperature transformation by using transverse momentum distribution of particles. Our result shows that Planck–Einstein relation is right. A moving system which has no energy current exchange with external surroundings becomes cool.
      PubDate: 2013-11-01
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