A quantum chemical study on structure of 1,2-bis(diphenylphosphinoyl)ethane and phenol cocrystal

The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from theoretical studies of molecule DPPEO/phenol (1:1) were found to be as expected. Theoretical results, concerning with intermolecular van der Waals forces in cocrystal, were compared with the previously obtained experimental data and AM1 results were found to be the best fit for bond lengths and angles of DPPEO/phenol.     

A new type of conformal dynamics

We consider the Lagrangian particle model introduced in [Ann. Phys. 260 (1997) 224] for zero mass but nonvanishing second central charge of the planar Galilei group. Extended by a magnetic vortex or a Coulomb potential the model exhibits conformal symmetry. In the former case we observe an additional SO(2,1) hidden symmetry. By either a canonical transformation with constraints or by freezing scale and special conformal transformations at t=0 we reduce the six-dimensional phase-space to the physically required four dimensions. Then we discuss bound states (bounded solutions) in quantum dynamics (classical mechanics). We show that the Schrödinger equation for the pure vortex case may be transformed into the Morse potential problem thus providing us with an explanation of the hidden SO(2,1) symmetry.     

On a class of difference equations of monotone type

Of concern is the existence and uniqueness of the solution to a class of abstract second-order difference equations. They are the discrete version of some evolution equations which are intensely studied. Some asymptotic behavior results are established. The periodic solutions are also investigated. We use the theory of the maximal monotone operators in Hilbert spaces. An application to a partial differential equation is given.     

Loading aircraft for military operations

In this paper, we describe an aircraft loading problem submitted by the French military agency (DGA) as part of a more general military airlift planning problem. It can be viewed as a kind of bi-dimensional bin-packing problem, with heterogeneous bins and several additional constraints. We introduce two-phase methods for solving this NP-hard problem. The first phase consists in building good initial solutions, thanks to two fast algorithms: a list-based heuristic and a loading pattern generation method. Both algorithms call a constraint-based subroutine, able to determine quickly if the items already loaded can be reshuffled to accommodate a new object. The second phase improves these preliminary solutions using local search techniques. Results obtained on real data sets are presented.     

Living/controlled radical copolymerization of N‐substituted maleimides with styrene in 1‐butyl‐3‐methylimidazolium hexafluorophosphate and anisole

The atom transfer radical copolymerization of N‐substituted maleimides such as N‐phenylmaleimide (PhMI), N‐cyclohexylmaleimide (ChMI), and N‐butylmaleimide (NBMI) with styrene initiated with dendritic polyarylether 2‐bromoisobutyrates in an ionic liquid, 1‐butyl‐3‐methylimidazolium hexafluorophosphate ([bmim][PF₆]), at room temperature and anisole at 110 °C was investigated. The dendritic‐linear block copolymers obtained in ionic liquid possessed well‐defined molecular weight and low polydispersity (1.05 < M_w/M_n < 1.32) and could be used as a macroinitiator for chain‐extension polymerization, suggesting the living nature of the reaction system. The ionic liquids containing catalyst could be recycled in the atom transfer radical polymerization systems without further treatment. Compared with polymerization conducted in anisole, the polymerization in ionic liquid had a stronger tendency for alternation. The tendency for alternation decreased in the order PhMI > NBMI > ChMI in [bmim][PF₆] and PhMI > ChMI > NBMI in anisole. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2156–2165, 2003     

New insights on amorphous silicon-nitride microcavities

All amorphous silicon-nitride planar optical microcavities operating in the visible range have been grown by plasma enhanced chemical vapor deposition. The luminescence intensity of the N-rich silicon-nitride layer from a microcavity with 6 period distributed Bragg reflectors (DBRs) is two order of magnitude higher than that of the luminescent layer without the cavity. Moreover, a strong directionality of the microcavities emission can be observed. Such results can be ascribed to the anisotropic optical density of states induced in the Fabry–Perot structure. The quality factors of the resonators are strictly correlated to the number of periods of the DBRs.     

Comment on: “Confined states in two-dimensional flat elliptic quantum dots and elliptic quantum wires” [Physica E 11 (2001) 345]

We argue that the two-dimensional elliptic quantum dot problem with finite barrier cannot be exactly solved, contrary to a recent assertion (van den Broek and Peeters, Physica E 11 (2001) 345. We also prove it explicitly by numerically calculating the correct energy spectrum.     

Initial oxidation kinetics of copper (1 1 0) film investigated by in situ UHV-TEM

Previous studies of the initial stage of oxidation on clean single crystal of Cu(1 0 0) have been extended to the case of the Cu(1 1 0) surface. The dynamic observation of the nucleation and growth of Cu oxide by means of in situ ultra high vacuum transmission electron microscopy (UHV-TEM) shows a highly enhanced oxidation rate on Cu(1 1 0) surface as compared to Cu(1 0 0). The kinetic data on the nucleation and growth of the three-dimensional oxide islands agree well with our heteroepitaxial model of surface diffusion of oxygen.     

Isolation and On‐Line LC/CD Analysis of 3,8″‐Linked Biflavonoids from Gnidia involucrata

Investigation of the methanol extract of the roots of Gnidia involucrata (Thymelaeaceae) led to the isolation and characterization of two new 3,8″‐biflavonoid diastereoisomers, named GB‐4 ( 6a ) and GB‐4a ( 6b ). Their absolute configurations were determined in mixture by on‐line LC/CD measurements, which also allowed the revision of absolute configurations of the biflavanoids GB‐1 and GB‐2, and the configurational assignment of GB‐3.     

Moore-Penrose inverse in an indefinite inner product space

The concept of the Moore-Penrose inverse in an indefinite inner product space is introduced. Extensions of some of the formulae in the Euclidean space to an indefinite inner product space are studied. In particular range-hermitianness in completely characterized. Equivalence of a weighted generalized inverse and the Moore-Penrose inverse is proved. Finally, methods of computing the Moore-Penrose inverse are presented.