A simple theory of liquid—solid phase transitions

A simple phenomenological theory of liquid—solid phase transitions, based on the use of perturbation theory about a hard-sphere fluid, is examined. A temperature dependent hard-sphere diameter is determined which permits the prediction of solid and liquid densities and melting pressures. Calculations presented here for the Lennard-Jones 12-6 fluid show good agreement with the computer simulation results. Provided pair potentials are available, the theory may also be used for other fluids, including liquid metals.     

Geometry and electronic structure of Vn(Bz)m complexes

First-principles calculations based on the generalized gradient approximation to the density functional theory are performed to explore the global geometries, ground-state spin multiplicities, relative stabilities, and energetics of neutral and anionic V(n)(Bz)(m) (n=1-3, m=1-4, with n相似文献   

Thorium(IV) complexes with tetradentate Schiff base ligands

Summary Some thorium(IV) complexes were synthesized with the tetradentate Schiff base ligands (N₂O₂ donor set) obtained by the condensation of ethylenediamine with salicylaldehyde (H₂salen) or acetylacetone (H₂ acacen). In all cases the neutral Schiff bases and not their anions are coordinated to the central thorium(IV) atom. The complexes have the general formula: ThL₂Xa (L = H₂ salen; X = Cl, Br, 1, NCS and L = lie acacen; X = Cl, 1, NCS, ClO₄) or ThLX₄ (L = H₂ salen; X = NO₃, ClO₄ and L = H₂ acacen; X = Br, NO₃). The stoichiometry and coordination number of the complexes was determined on the basis of elemental analysis, conductivity measurements, i.r. spectra and t.g.a./d.t.a. data. The coordination number of the complexes is either 12 or 8 for the bisor monocomplexes respectively.     

General Function Spaces,V. (The Spaces B and F: The Case 0<p≦∞)

In this paper quasi-BANACH spaces of (generalized) distributions are considered, including spaces of BESOV type, HARDY type and SOBOLEV type. The methods are based on the real variable approach to the HARDY spaces by FEFFERMAN and STEIN, and on the modification of this approach in connection with spaces of F-type by PEETRE.     

A New Compound Isolated from a Bioactive Streptomycete

A new compound, named (S)-α-acetylamino-β-(3-indole)propano1 (1) was isolated, along with two known compounds teleocidin B 1 and emycin B from culture broth of a streptomycete strain YIM33176 (streptomyces pleomorphus). The structure of 1 was determined by detailed spectroscopic investigation.