نتایج جستجو برای: density functional calculations

تعداد نتایج: 1040617  

Journal: :The European Physical Journal A 2022

Recently, values for the Kumar quadrupole deformation parameters of nucleus $$^{130}$$ Xe have been computed from results a Coulomb excitation experiment, indicating that this xenon isotope has prominent triaxial ground state. Within different context, it was recently argued analysis particle correlations in final states ultra-relativistic heavy-ion collisions performed at Large Hadron Collider...

Importance of covalent bonded two-dimensional monolayer nanostructures and also hydrocarbons is undeniably responsible for creation of new fascinating materials like polyphenylene polymer, a hydrocarbon super honeycomb network, so-called porous graphene. The mechanical properties of porous graphene such as its Young’s modulus, Poisson’s ratio and the bulk modulus as the determinative properties...

ژورنال: :international journal of new chemistry 0

the electronic structure and properties of the osmaabenzenes and para substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. systematic studies on the substituent effect in para substituted osmabenzenes complexes have been studied. the following substituents were taken into consideration: h, f, ch3,oh, nh2,cn, no2, cho, and cooh. basic measures of aroma...

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