Browsing Fakülteler / Faculties by Author "Yakuphanoglu, F; Atalay, Y; Sekerci, M;"

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A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine

Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2007)

The molecular geometry and vibrational frequencies of N-phenyl-AP-(2-thienyimethylene)hydrazine (C11H10N2S) have been calculated using Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis set. The optimized ...
Determination of the optical constants of 2-amino-5-phenyl-1,3,4-thiadiazole by Hartree-Fock and density functional method (B3LYP)

Atalay, Yusuf (ELSEVIER SCIENCE BV, 2005)

The optical constants (real and imaginary refractive index) and complex dielectric constants of 2-amino-5-phenyl-1,3,4-thiadiazole between 4000 and 400 cm(-1) at 25 degrees C were calculated using the Hartree-Fock and ...