abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...

insurers have in the past few decades faced longevity risks - the risk that annuitants survive more than expected - and therefore need a new approach to manage this new risk. in this dissertation we survey methods that hedge longevity risks. these methods use securitization to manage risk, so using modern financial and insurance pricing models, especially wang transform and actuarial concepts, ...

abstract the variables affecting the nature of reading comprehension can be classified into two general categories: reader’s variables, and text variables (alderson, 2000). despite the wave of research on vocabulary knowledge as reader’s variable, the role of this knowledge in c-test as a text-dependent test and its interaction with lexical cohesion of the test as a text feature has remained a...

reserches show that relationship between human and residential places is based upo both emotional and identity structures. in other words, habitat place is not only the creator of a part of humanistic identity but also form a kind of sentimental and emotional bond that may result in tendency to maintain closeness to a specific place. therefor, formaton of emotional and identity relationship wit...

abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...

objective: the objective of this study was to investigate the invitro fluoride release of four new self-adhesive resin cements; set (sdi, australia), breeze (pentron, usa), embrace wetbond (pulpdent, usa), g-cem (gc, japan) and to assess the bonding performance of these self-adhesive resin cements for bonding of orthodontic brackets. materials and methods: for fluoride release experiment, six ...

in this thesis, phosphorus ylides [phbppy], [no2bppy] and [brbppy] have been synthesized through the formation of phosphonium salt and dihydrogenation, followed by the reaction of pd(oac)2 and the orthopalladated dinuclear complexes [pd(?-cl)(phbppy)]2, [pd(?-cl)(no2bppy)]2 and [pd(?-cl)(brbppy)]2 have been produced. the reaction of dinuclear complexes and bidentate ligands [l = bipy (2,2-bipyr...

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...