A shape model for the twisting power of chiral solutes in nematics

The twisting power of chiral probes in nematics is interpreted in terms of a shape model, in which the surface elements of the solute molecules tend to align with the local director. The theoretical treatment is based on a previous approach, suitable for relating order parameters in nematics to molecular shape, and leads to the definition of a molecular pseudo-tensor whose orientational average determines the pitch and handedness of the helical macrostructures. Results of numerical calculations performed for distorted biphenyl and binaphthyl molecules are in agreement with the experimental results.     

Determination of the Tolman cone angle from crystallographic parameters and a statistical analysis using the crystallographic data base

Summary A new method of evaluating the Tolman cone angle from X-ray structural data available from the Cambridge Crystallographic Data Base has been developed and a statistical analysis of the cone angles of the phosphines PPh₃, PMe₂Ph, PMePh₂, PMe₃, PEt₃ and PCy₃ (Cy = cyclohexyl) in transition metal complexes has been completed.     

Spectroscopic investigation of Pt—methanol interface in perchloric acid medium by sum-frequency generation

We recorded vibrational spectra of the CO poison resulting from the electrochemical decomposition of CH₃OH on platinum by sum-frequency generation using the infrared free electron laser CLIO. At high CH₃OH concentration (0.1 M) in the electrolyte, both multi-bonded and linearly bonded CO are equally present. At lower CH₃OH concentration (0.004 M), the multi-bonded species is predominant. The CO poison still remains on the surface at potentials (0.05 V/NHE) close to the hydrogen evolution onset.     

Advanced in the synthesis of heterocyclic compounds from aliphatic nitro derivatives. A review

The literature on the synthesis of heterocyclic compounds from aliphatic nitro derivatives in the past decade has been summarized.Moscow State Textile Academy, 117918, Moscow. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1299–1336, October, 1994. Original article submitted October 6, 1994.     

Collisions for the quantum Coulomb Hamiltonian

We study the propagation of phase space singularities for the time dependent Schrödinger equation with potential having Coulomb-type singularities in space dimension equal tothree. We prove that the singularities (frequency set) of the solution are reflected by a Coulomb center exactly as in the classical problem, i.e. the frequency set follows theregularized trajectories of Classical Mechanics after a collision.     

Method of fictitious regions for second-order quasilinear elliptical equations

We consider the application of the fictitious region method to solve the first and second boundary-value problems for a second-order quasilinear elliptical equation. Rate of convergence bounds are obtained for two versions of the fictitious region method.Translated from Vychislitel'naya i Prikladnaya Matematika, No. 56, pp. 7–14, 1985     

Role of orientation in kinetics of nucleation and growth of crystals in polymers

A theoretical framework is provided for generalizing the inferences drawn from the results of earlier experimental studies of kinetics of crystallization in oriented poly(ethylene terephthalate). The framework is obtained by combining extensions of classical nucleation theories in polymers^3,4 and a theory of crystal growth with anisotropic incorporation of segments into growing crystals.¹⁵ It is shown that, while a very strong dependence of rate of primary nucleation on orientation does exist, there is a only a much weaker dependence of rate of crystal growth on the orientation of the crystallizing polymer. The theoretical formulation provided here would allow qualitative estimates for comparison with experiments.