the potential energy surface of gaseous glycine determined years ago in the ab initio b3lyp/6-311++g** calculations is composed of thirteen stable conformers. we performed the ab initiomolecular orbital calculations as the starting point to carry out a force field and normal coordinatecalculation on the most stable conformer of non-zwitterionic glycine [conformer (i)]. thecalculations were carr...

the applicability of hollow fiber-based liquid phase microextraction (hf-lpme) was evaluated for the extraction and preconcentration of loratadine prior to determination by hplc. in order to obtain high extraction recovery, the parameters affecting the hf-lpme including type of organic phase, ph of the source and receiving phases, stirring rate, extraction time and salt addition were studied an...

Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagonalization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A comparison of the HF and exact results allows us to discuss the relevance of the symmetry of the charge density distribution for the accuracy of the HF meth...

The potential energy surface of gaseous glycine determined years ago in the ab initio B3LYP/6-311++G** calculations is composed of thirteen stable conformers. We performed the ab initiomolecular orbital calculations as the starting point to carry out a force field and normal coordinatecalculation on the most stable conformer of non-zwitterionic glycine [conformer (I)]. Thecalculations were carr...

This study aimed to introduce a new method based on Hollow Fiber in order to determination of acetic anhydride (AA) in the air. Hydroxylamine hydrochloride and sodium hydroxide (1:1), were used as extraction solvent. This method was studied in the laboratory under various conditions. In order to make different concentrations of AA in the air, a standard glass chamber was used. The optimization ...

This paper presents a solution to increase the throughput of an HF (High Frequency) physical (PHY) layer in particular to allow for services such as IP over HF. Additionally, this new PHY layer can improve the adaptability of the waveform to the channel variations, in particular to limit the retransmissions due to errors. Taking into consideration the existing HF spectrum occupancy and its high...

When using quantum chemistry techniques to calculate the energetics of bulk crystals, there is a need to calculate the Hartree-Fock (HF) energy of the crystal at the basis-set limit. We describe a strategy for achieving this, which exploits the fact that the HF energy of crystals can now be calculated using pseudopotentials and plane-wave basis sets, an approach that permits basis-set convergen...

penfluridol, a neuroleptic drug, considerably reversed halofantrine resistance in t9.96hf halofantrine resistant strain of plasmodium falicparum (originally chloroquine sensitive parasites), but not in k1hf halofantrine resistant strain (originally chloroquine resistant parasites)

A new kind of hollow fiber surface plasmon resonance sensor (HF-SPRS) based on the silver-coated ethylene tetra-fluoro-ethylene (ETFE) hollow fiber (HF) is presented. The ETFE HF-SPRS is fabricated, and its performance is investigated experimentally by measuring the transmission spectra of the sensor when filled by liquid sensed media with different refractive indices (RIs). Theoretical analysi...