نتایج جستجو برای: pair potential

تعداد نتایج: 1175810  

2006
N. D. Drummond

We report quantum Monte Carlo QMC , plane-wave density-functional theory DFT , and interatomic pair-potential calculations of the zero-temperature equation of state EOS of solid neon. We find that the DFT EOS depends strongly on the choice of exchange-correlation functional, whereas the QMC EOS is extremely close to both the experimental EOS and the EOS obtained using the best semiempirical pai...

Journal: :caspian journal of mathematical sciences 2014
f. ayatollah zadeh shirazi j. nazarian sarkooh

‎in this text we prove that in generalized shift dynamical system $(x^gamma,sigma_varphi)$‎ ‎for finite discrete $x$ with at least two elements‎, ‎infinite countable set $gamma$ and‎ ‎arbitrary map $varphi:gammatogamma$‎, ‎the following statements are equivalent‎: ‎ - the dynamical system $(x^gamma,sigma_varphi)$ is‎ li-yorke chaotic;‎ - the dynamical system $(x^gamma,sigma_varphi)$ has‎ an scr...

Journal: :research in pharmaceutical sciences 0
m amanlou s keivani b sadri o gorban-dadras e souri

in the present study, a simple and sensitive extractive spectrophotometric method is described for determination of buspirone. the method is based on the reaction of buspirone and bromocresol green. the ion-pair complex was quantitatively extracted into chloroform at ph 2.3 followed by spectrophotometric determination at 415 nm. the complex was stable up to 2 days and obeyed beer's law over the...

Journal: :iranian journal of pharmaceutical sciences 0
massoud amanlou department of medicinal chemistry, faculty of pharmacy, and pharmaceutical sciences research center, tehran university of medical sciences, tehran, iran effat souri department of medicinal chemistry, faculty of pharmacy, and pharmaceutical sciences research center, tehran university of medical sciences, tehran, iran shiva izady department of medicinal chemistry, faculty of pharmacy, and pharmaceutical sciences research center, tehran university of medical sciences, tehran, iran hassan farsam department of medicinal chemistry, faculty of pharmacy, and pharmaceutical sciences research center, tehran university of medical sciences, tehran, iran

a simple and sensitive extractive spectrophotometric method is described for determination of tropicamide. the method is based on the reaction of tropicamide and bromocresol green. the ion-paired colored complex was extracted with chloroform at ph 3. the extracted complex showed maximum absorbance at 423 nm. the complex was stable up to 2 days and obeyed beer's law over the concentration r...

There are various methods for obtaining the preference vector of pair-wise comparison matrix factors. These methods can be employed when the elements of pair-wise comparison matrix are crisp while they are inefficient for fuzzy elements of pair-wise comparison matrix. In this paper, a method is proposed by which the preference vector of pair-wise comparison matrix elements can be obtained even ...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2010
Oded Farago

We use scaling arguments and coarse-grained Monte Carlo simulations to study the fluctuation-mediated interactions between a pair of adhesion sites of a bilayer membrane and a supporting surface. We find that the potential of mean force is an infinitely long range attractive potential that grows logarithmically with the pair distance r : ϕ(r)/k B T=c ln r, where the constant c=2 and c=1 for non...

2004
F. Kermanpour G. A. Parsafar G. A. Mansoori

A variational theory (VT), in which the potential energy of a real system is evaluated relative to the hard-sphere system, has been used to investigate the medium’s effects on the pair potential parameters. By adding the medium’s effects to the isolated pair potential, the concept of an ‘‘effective pair potential’’ (EPP) has been introduced. The advantage of such a potential (EPP) over the isol...

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