Internal energy selected halomethane cations CH(3)Cl(+), CH(2)Cl(2)(+), CHCl(3)(+), CH(3)F(+), CH(2)F(2)(+), CHClF(2)(+), and CBrClF(2)(+) were prepared by vacuum ultraviolet photoionization, and their lowest energy dissociation channel studied using imaging photoelectron photoion coincidence spectroscopy (iPEPICO). This channel involves hydrogen atom loss for CH(3)F(+), CH(2)F(2)(+), and CH(3)...

In this research work at The first compounds [C60- 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol-C65-2X]+ (X=F,Cl,Br) were optimized. Then the calculation of natural bond orbitals was performed with the NBO technique. All calculations using Hartree- fock  the 6-31G * basis set using Gaussian 98 software and in gas phase has been done. The results showed that the energy levels of mol...

The role of F− in the corrosion stainless steel at stage occluded cell a mixture chloride, fluoride, and sulfate ions was investigated. A simulated designed using an elaborate rust layer. Composite electrodes were used to monitor variation concentration ions, pH, dissolved oxygen solution. results show that influence on 304 steel, stage, is dependent. When F−/Cl− ratio higher than 2, can be sig...

We have computed consistent benchmark potential energy surfaces (PESs) for the anti-E2, syn-E2, and SN2 pathways of X(-) + CH3CH2X with X = F and Cl. This benchmark has been used to evaluate the performance of 31 popular density functionals, covering local-density approximation, generalized gradient approximation (GGA), meta-GGA, and hybrid density-functional theory (DFT). The ab initio benchma...

Highly atypical mineralization involving Pd-Pt, Au-Ag, REE, Y, Zr, U, Th, and Cl-F-enriched minerals is found in zones with base metal sulfides (BMS; ~5 vol.% to 20 vol.%) the eastern portion of Oktyabrsky deposit Norilsk complex (Russia). The overall variations Mg# index, 100 Mg/(Mg + Fe2+ Mn), host-rock are 79.8 → 74.1 olivine, 77.7 65.3 orthopyroxene, 79.9 9.2 clinopyroxene, An79.0 An3.7. sp...

Population pharmacokinetics of cyclosporine (CsA) in clinical renal transplant patients has been reported in the present study. A total of 2,548 retrospective drug monitoring data points were collected from 120 renal transplant patients receiving CsA. Population modeling was performed using the NONMEM (nonlinear mixed-effect modeling) program, using a one-compartment model with first-order abso...

The primary objective of this study was to measure atazanavir-ritonavir and tenofovir pharmacokinetics when the drugs were used in combination in young adults with human immunodeficiency virus (HIV). HIV-infected subjects > or =18 to <25 years old receiving (> or =28 days) 300/100 mg atazanavir-ritonavir plus 300 mg tenofovir disoproxil fumarate (TDF) plus one or more other nucleoside analogs u...

Let L/F be a dihedral extension of degree 2p, where p is an odd prime. Let K/F and k/F be subextensions of L/F with degrees p and 2, respectively. Then we will study relations between the p-ranks of the class groups Cl(K) and Cl(k). 1. A Short History of Reflection Theorems Results comparing the p-rank of class groups of different number fields (often based on the interplay between Kummer theor...