نتایج جستجو برای: molecular topology

تعداد نتایج: 699916  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه یاسوج - دانشکده علوم 1391

in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...

Journal: :iranian journal of mathematical chemistry 2011
m. v. diudea a. ilić m. medeleanu

hyperdiamonds are covalently bonded fullerenes in crystalline forms, more or less related todiamond, and having a significant amount of sp3 carbon atoms. design of severalhypothetical crystal networks was performed by using our original software programscvnet and nano-studio. the topology of the networks is described in terms of the netparameters and several counting polynomials, calculated by ...

In this paper, we introduce the concept of the generalized topological molecular lattices as a generalization of Wang's topological molecular lattices,  topological spaces, fuzzy topological spaces, L-fuzzy topological spaces and soft topological spaces. Topological molecular lattices were defined by closed elements, but in this new structure we present the concept of the open elements and defi...

Journal: :journal of physical & theoretical chemistry 2007
a. taherpour f. shafiee

topological indices are the numerical value associated with chemical constitution purporting for correlation ofchemical structure with various physical properties, chemical reactivity or biological activity. graph theory is adelightful playground for the exploration of proof techniques in discrete mathematics and its results haveapplications in many areas of sciences. one of the useful indices ...

Journal: :journal of physical & theoretical chemistry 2009
esmat mohammadinasab

topological indices are one of the oldest and most widely used descriptors in quantitative structureproperties relationvhips (qspr). amongst the topological indices used a,s descriptors in qspic., the wienerindex is by far the most popular index. as it has been shown that the wiener index has a strong correlationwith the chemical propenies of the compound.in this study, the relationship between...

Journal: :Proceedings of the National Academy of Sciences 1977

Avat (Arman) Taherpour Fatemeh Shafiee

One of the useful indices in molecular topology is Randić index. The alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. Someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the HOMO and LUMOorbitals, etc....

Journal: :journal of physical & theoretical chemistry 2005
avat (arman) taherpour fatemeh shafiee

one of the useful indices in molecular topology is randić index. the alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the homo and lumoorbitals, etc....

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