Conformational analysis of some acrylates using dipole moment calculations by CNDO/force method

CNDO MO calculations are carried out for four acrylates, H₂C=C (R₁)-COO (R₂) with R₁=H, Me and R₂=Me, Et for dipole moment determination using the Pople-Segal expression.⁷ Energy minimization for various conformers in each molecular system was achieved by the gradient method. Dipole moments for comparatively stable conformers of each of the molecules considered are reported. Theoretically calculated energy values are used to arrive at the equilibrium geometry and the corresponding dipole moments are compared with the experimental values in each system considered.     

Electric field gradients in various chemical environments of133Ba by the sum peak method

The sum peak at 437 keV (356+81 keV) has been measured in various chemical and physico-chemical environments. The fact that the intensity ratio of the sum peak to its single peak changes with the circumstances in which the radioactive source is placed is used to observe the effect of the chemical environment on directional correlation coefficients of 351–81 keV cascade in¹³³Ba−¹³³Cs decay and to detect the variations in the electric field gradient in different barium compounds. The sum peak method has been found to be useful in describing the chemical influences onG ₂₂ parameters and hence in the study of electric field gradients.     

Studies with model membranes

Summary Thermodynamic effective fixed charge densities of mercuric phosphate and carbonate parchment supported membranes were evaluated by a number of methods particularly those ofTeorell-Meyer-Sievers, Altug andHair andKobatake et al. The value of the permselectivity was obtained for the two membranes based onKobatake et al. procedure. Membrane transport number was calculated using a modified Nernst relation and compared with the values determined by the TMS method. The theoretical predictions for membrane potential usingKobatake et al. equation are borne out quite satisfactorily by our experimental results for both membrane.

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Zusammenfassung Es wurden die Dichte der fixierten Ladungen von Quecksilberphosphat und Quecksilberkarbonat-Niederschlagsmembranen nach den Methoden vonTorell-Meyer-Sievers, Altug undHair undKobatake bestimmt. Weiterhin wurden Durchlässigkeit und Transportzahlen ermittelt und mit Werten der TMS-Methode verglichen. Theoretische Voraussagen über das Membranpotential nach den Gleichungen vonKobatake stimmen mit den experimentellen Ergebnissen überein.

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With 8 figures and 3 tables     

Application of the sum peak method to study changes in the K-capture probability to the 1086 keV level and perturbed angular correlation parameters in the decay of152Eu

The sum peak method has been applied to electron capture probability changes to the 1086 keV level in the decay of¹⁵²Eu in the different environments, e.g. ethylenediaminetetraacetic acid (EDTA), bovine serum albumin (BSA) and hydrochloric acid (HCl). An attempt is also made to determine the effect of chemical environment on the directional correlation coefficient of the 1409–122 keV - cascade in¹⁵²Eu ¹⁵²Sm decay. A change of G₂₂ is found in the different chemical forms.     

Conductance studies in amide-water mixtures. II. Sodium salts inN,N-dimethylformamide-water mixtures at 35°C

Conductance data for sodium nitrite, chloride, and acetate in water andN,N-dimethylformamide (DMF)-water mixtures (74.82D42.48) for the concentration range 0.001–0.04N, as well as the densities, viscosities, and dielectric constants of the solvent mixtures at 35°C, are reported. The data have been analyzed by the Fuoss (1975) equation. The existence of a maximum in the viscosity at a 13 mole ratio of DMF and water is indicated. The Walden products for all the three salts pass through a maximum while the equivalent conductances show a minimum with increasing DMF content. The maxima in the Walden product are attributed to the dehydration of ions by the cosolvent (DMF).Part I:Indian J. Chem. 14A, 1015 (1976).Deceased.     

Diphenylcarbazone as a sensitive reagent for the spectrophotometric determination of iridium(IV)

Summary The blue iridium(IV)-diphenylcarbazone complex, formed by heating the solutions in boiling water bath for 45 minutes, having an absorption maximum at 550 nm with maximum molar absorptivity of 1.90·10⁴l·cm^–1·mole^–1 (within 1.5 %) is recommended for the spectrophotometric determination of 40–240g iridium(IV) in 25–60 % ethanol medium. The complex formed in solutions at pH 3.5–7.0, after formation, is stable within the pH range 2.5 to 9.2. The effect of foreign ions has been investigated.

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Zusammenfassung Der blaue Iridium(IV)-diphenylcarbazon-Komplex entsteht beim Erwärmen der beiden Lösungen im siedenden Wasserbad für 45 Min. Er hat ein Absorptionsmaximum bei 550 nm und eine molare Extinktion von 1,90 × 10⁴ l·cm^–1·mole^–1. Diese Farbreaktion wird zur spektrophotometrischen Bestimmung von 40–240g Ir(IV) in 25-bis 60%igem Äthanol empfohlen. Der bei pH 3,5–7,0 entstandene Komplex ist zwischen pH 2,5 und 9,2 beständig. Der Einfluß von Fremdionen wurde untersucht.

     

Generalized mean-square amplitudes of vibration in some XY4 type ions (II)

The generalized mean-square amplitudes of vibration and mean amplitudes of vibration have been computed for CrO^3-₄, Mn¹⁸O^-₄, MoSe^2-₄ and WSe^2-₄ ions at three temperatures, T = 0°K, T = 298°K, T = 500°K, employing Cyvin's method. The results have been discussed in the light of atomic weight and electronegativity of the atom in the ionic system.     

Superconvergence error estimates of discontinuous Galerkin time stepping for singularly perturbed parabolic problems

Numerical Algorithms - A parabolic convection-diffusion-reaction problem is discretized by the non-symmetric interior penalty Galerkin (NIPG) method in space and discontinuous Galerkin (DG) method...     

Bounds for the generalized Marcum function of the second kind

The Ramanujan Journal - This paper provides elementary proofs for several types of congruences involving multipartitions and self-convolutions of the divisor function. Our computations use...