Some physicochemical and electronic properties of C60H2 and Be@C60H2 systems - a theoretical study

2002-09-27
Türker, Burhan Lemi
Regio and stereoisomers of vicinal C60H2 and Be (C60H2)-C-@ systems are considered within the framework of AM I (SCF) type semiempirical calculations. Some of their physicochemical and electronic properties are reported. In-isomers of (BeC60H2)-C-@ structure after the geometry optimization yields quasi (BeC60H2)-C-@ structure.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Suggestions

AM1 treatment of some C60H2 and Be@C60H2 systems
Türker, Burhan Lemi (2002-07-26)
Vicinally hydrogenated C-60 and endohedrally beryllium-doped vicinally hydrogenated C-60 structures are considered within the framework of AM1(SCF) type semiempirical calculations. The regioisomers and stereoisomers of the hydrogenated products are compared from thermodynamic point of view. Endohedrally beryllium-atom doping has been found stable for C60H2 systems having hydrogens inside the cage.
Some higher-dimensional vacuum solutions
Gurses, M; Karasu, Atalay (IOP Publishing, 2001-02-07)
We study an even-dimensional manifold with a pseudo-Riemannian metric with arbitrary signature and arbitrary dimensions. We consider the Ricci flat equations and present a procedure to construct solutions to some higher(even-) dimensional Ricci flat field equations from the four-dimensional Ricci flat metrics. When the four-dimensional Ricci flat geometry corresponds to a colliding gravitational vacuum spacetime our approach provides an exact solution to the vacuum Einstein field equations for colliding gra...
Analysis and design of conformal frequency selective surfaces /
Dalkılıç, Akın; Alatan, Lale; Department of Electrical and Electronics Engineering (2014)
An efficient analysis and design approach for conformal frequency selective surface (FSS) structures is developed. The design methodology involves the analysis of both the planar and curved FSS structures. First, planar unit cell analysis of conformal FSS models are accomplished for normal and oblique incidence cases. To prove conformal applicability of planar designs, a semi-finite analysis method is utilized. This method is based on solution of a singly periodic curved FSS structure of semi-cylinder shape...
Radar cross section analysis by shooting and bouncing rays method
Çakır, Mustafa Kağan; Tokdemir, Turgut; Department of Engineering Sciences (2015)
In this study, a MATLAB code incorporating `Shooting and Bouncing Rays (SBR) Method` is developed for calculating Radar Cross Section (RCS) of complex shapes. The code can calculate ray paths, magnetic current sheets, incident and scattered electric fields and RCS in horizontal, vertical and cross polarizations. While reflection effects are calculated by SBR algorithm, diffraction effects due to edges and corners are handled by `Equivalent Edge Currents (EEC’s)`. Wave frequency, aspect angle and number of r...
Investigations of spinodal dynamics in asymmetric nuclear matter within a stochastic relativistic model
Yılmaz, Osman; ACAR, FERİDE PINAR; Saatci, S.; GÖKALP, AHMET (Springer Science and Business Media LLC, 2013-03-01)
Early development of spinodal instabilities and density correlation functions in asymmetric nuclear matter are investigated in the stochastic extension of the Walecka-type relativistic mean field including coupling with rho meson. Calculations are performed under typical conditions encountered in heavy-ion collisions and in the crusts of neutron stars. In general, growth of instabilities occur relatively slower for increasing charge asymmetry of matter. At higher densities around rho = 0.4 rho(0) fluctuatio...
Citation Formats
B. L. Türker, “Some physicochemical and electronic properties of C60H2 and Be@C60H2 systems - a theoretical study,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 175–178, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62340.