Centrifugal distortion analysis of the millimeter-wave spectrum of 2-fluorobenzonitrile and ab initio DFT calculations

The ground state (ν = 0) rotational spectrum of 2-fluorobenzonitrile has been reinvestigated in the frequency range 40.0-99.0 GHz. The millimeter-wave spectrometer used is a source-modulated system combined with a free space glass cell. Millimeter-wave radiation has been produced using a Gunn diode and frequency doubler combination. High J and K₋₁ (J ? 49 and K₋₁ ? 18) transitions have been measured and accurate rotational and centrifugal distortion constants have been determined. Finally, the experimental values were compared with the corresponding values calculated at the HF/DFT-B3PW91/6-31g(d,p) level of theory. A very good agreement has been found.     

A micro-convection model for thermal conductivity of nanofluids

Increase in the specific surface area as well as Brownian motion are supposed to be the most significant reasons for the anomalous enhancement in thermal conductivity of nanofluids. This work presents a semi-empirical approach for the same by emphasizing the above two effects through micro-convection. A new way of modeling thermal conductivity of nanofluids has been explored which is found to agree excellently with a wide range of experimental data obtained by the present authors as well as the data published in literature     

Information patterns and Nash equilibria in extensive games — II

In Part I of this paper we introduced extensive games with a non-atomic continuum of players. It was shown that the Nash plays (outcomes) are invariant of the information patterns on the game, provided that no player's unilateral change in moves can be observed by others. This led to an enormous reduction in the Nash plays of the these games, as exemplified in the anti-folk theorem. Our concern in this sequel is to develop a finite version of these results.     

Oxide films of copper prepared by the oxidation of copper sulphide films

Copper sulphide films prepared by reactive evaporation, when heated in air at 500 K, oxidized to Cu₂O after a series of intermediate chemical transitions. Golden yellow coloured Cu₂O films showed a large absorption before the fundamental absorption edge. The optical band gap was found to be (2.29±0.02)eV. When these Cu₂O films were further heated they got converted to CuO and the optical band gap was found to be (2.17±0.02)eV.     

Thermodynamics of textures in superfluid 3He

The contribution of the textures in the B-phase of superfluid ³He to the specific heat has been calculated. The specific heat is found to be divergent near T_c.     

Investigation of the role of NaBH<Subscript>4</Subscript> in the chemical synthesis of gold nanorods

An improvement in the previously reported seed-mediated chemical synthesis of gold nanorods (GNRs) is reported. Monodisperse GNRs have been synthesized in a one-step protocol. The addition of controlled quantity of sodium borohydride (NaBH₄) directly into the growth solution produced uniform GNRs, formed by in situ nucleation and growth. In order to arrive at the conclusion, we studied the formation of GNRs with various seeds, of metals of widely differing crystal structures, and there were no variations in the properties of the GNRs formed. The role of NaBH₄ in the growth of GNR, which has not been covered in previous reports, is discussed in detail. The dependence of longitudinal plasmon peak on the concentration of NaBH₄ is compared with the dependence of residual concentration of NaBH₄ in the seed solution, which is added to the growth solution in seed-mediated synthesis. The study shows that NaBH₄ plays an important role in the formation of GNRs. This proposed protocol offers a number of advantages: one-step preparation of GNRs, significant reduction in the preparation time to 10 min, high monodispersity of GNRs, and tailorability of the aspect ratio depending on NaBH₄ concentration. It is suggested that NaBH₄ added to the growth solution leads to in situ formation of the seed particles of the size of 3–5 nm which enables the growth of GNRs. The growth of GNRs suggested here is likely to have an impact on the preparation of other anisotropic structures. Our single-pot methodology makes the procedure directly adaptable for commercial-scale production of GNRs and for their synthesis even in undergraduate laboratories.     

Glass transition in biomolecules and the liquid-liquid critical point of water

Using molecular dynamics simulations, we investigate the relation between the dynamic transitions of biomolecules (lysozyme and DNA) and the dynamic and thermodynamic properties of hydration water. We find that the dynamic transition of the macromolecules, sometimes called a "protein glass transition," occurs at the temperature of dynamic crossover in the diffusivity of hydration water and also coincides with the maxima of the isobaric specific heat C_{P} and the temperature derivative of the orientational order parameter. We relate these findings to the hypothesis of a liquid-liquid critical point in water. Our simulations are consistent with the possibility that the protein glass transition results from crossing the Widom line, which is defined as the locus of correlation length maxima emanating from the hypothesized second critical point of water.