ab initio calculations at hf/6-31g* level of theory for geometry optimization and mp2/6-31g*//hf/6-31g*for total energy calculation are reported for z-cyclooctene (1). the most favorable conformation of 1 is theunsymmetric boat-chair (1-bc) geometry. potential energy profiles for two different boat-chair/boat-chairinterconversion processes were calculated. the process via a chair transition sta...

In this paper, the electronic eigenstates and energy spectra of single and two-interacting electrons confined in a concentric double quantum rings with a perpendicular magnetic field in the presence of         on-center donor and acceptor impurities are calculated using the exact diagonalization method. For a single electron case, the binding energy of on-center donor and acceptor impurities ar...

for a simple connected graph $g$ with $n$-vertices having laplacian eigenvalues‎ ‎$mu_1$‎, ‎$mu_2$‎, ‎$dots$‎, ‎$mu_{n-1}$‎, ‎$mu_n=0$‎, ‎and signless laplacian eigenvalues $q_1‎, ‎q_2,dots‎, ‎q_n$‎, ‎the laplacian-energy-like invariant($lel$) and the incidence energy ($ie$) of a graph $g$ are respectively defined as $lel(g)=sum_{i=1}^{n-1}sqrt{mu_i}$ and $ie(g)=sum_{i=1}^{n}sqrt{q_i}$‎. ‎in th...

a wind farm is a collection of wind turbines built in an area to provide electricity. wind power is a renewable energy resource and an alternative to non-renewable fossil fuels. in this paper impact of wind farms in power system reliability is investigate and a new procedure for reliability assessment of wind farms in hl1 level is proposed. in proposed procedure, application of fuzzy – markov f...

Undoubtly, land degradation causes apparent decrease of natural resources potential which are highly linked to desertification. Different countries and also international organization have realized a great number of projects to combat desertification. Unfortunately these projects have not reach to their goals. The experiences shows that the reason of these unsuccessful works is lack of consider...

concept analysis of transition from nursing student to clinical nurse: rodgers' evolutionary concept analysis     rafieef [1] , sajadihezaveh m [2] *     received: 21 feb, 2012 accepted: 27apr, 2012     abstract   background &aims; : the transition from nursing student to clinical nursing is a major challenge.the aim of this study was to clarify concept of transition in new graduate nursin...

reaction mechanism among indoline-2,3-dione, pyrrolidine-2-carboxylic acid and (z)-2-(1-(2-hydroxynaphthalen-1-yl)ethylidene)hydroxycarboxamide to form 1’-((((aminooxy)carbonyl)amino)methyl)-2’-(1-hydroxynaphthalen-2-yl)-2’-methyl-1’,2’,5’,6’,7’,7a’-hexahydrospiro[indoline-3,3’-pyrrolo[1,2-a]imidazole-2-one was investigated using density functional theory (dft) at b3lyp basis theory. the three-...