A time-dependent wave packet method has been employed to calculate the state-to-state reaction probability for the H1H2O~0,0,0!→H2~v1 , j1!1OH~v2 , j2! reaction for J50 and initial nonrotating H2O on the modified Schatz–Elgersman potential energy surface in full six dimensions ~6D!. Starting from a wave packet for an atom–triatom asymptotic state in atom–triatom Jacobi coordinates, we transfer ...

how to cite this article: nafissi sh. electrophysiologic studies in patients with leukodystrophy. iran j child neurol autumn 2014;8:4 (suppl.1):8.   pls see pdf.

during the last decade, the expansion of urbanization and industrial activities caused serious environmental problems such as soil pollution. novel technologies are required to remediate soil contamination with toxic contaminants, including heavy metals and organic pollutants. in recent years, there have been increasing attempts to improve soil remediation efficiency. electrokinetic (ek) is an ...

in this research at the first enalapril drug and its fullerene derivative were optimized. nbo calculations and nmr for the complexes were carried out at the b3lyp/6-31g* quantum chemistry level. different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of homo/lumo, chemical potential (µ ), chemical hardness (η), the coefficients of hybrid bonds (π,...

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a quantum chemical investigation was carried out to study the properties of intermolecular f•••f, br•••br and br•••o interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (bfnb). this system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. we found that fluorine atoms have weak ...

this work deals with the calculation of franck-condon factors using hua potential function for the first time. the advantages of this function have been mentioned, and the numerical methods are used to obtain franck-condon factors for the following band systems: agreement between the values of this work and those obtained from other works is quite good that verifies the reliability of the prese...

otostegia persica (burm.) boiss. is the medicinal plant of lamiaceae family that has long been used traditionally in treatment of severe diarrhea, common cold, flatulence, headache, sore, fever, skin allergies, and blood fat and sugar. this research was conducted in 2013 for one year to identify some ecological characteristics and potential allelopathicof o. persica in hormozgan province. the c...

A theory of the competition between fusion and quasi-fission in a heavy fusing system is proposed, which is based on a master equation and the two-center shell model. Fusion and quasi-fission arise from a diffusion process in an ensemble of nuclear shapes evolving towards the thermal equilibrium. The master equation describes the diffusion of the nuclear shapes due to quantum and thermal fluctu...

conclusions in type ii diabetes, the increased susceptibility of ldl to oxidation is related to hyperglycemia and low aop. background type ii diabetes mellitus is a complex heterogeneous group of metabolic conditions characterized by an increased level of blood glucose, due to impairment in insulin action and/or insulin secretion. hyperglycemia is a major factor in the pathogenesis of atheroscl...