Akademik Dersler - İçerik

Will be able to explain the basic concepts in computational chemistry.
Demonstrate the applicability of computational chemistry methods to practical problems.
Compare the methods used in computational chemistry.
Will be able to use the ChemDraw drawing program.
Will use all the features of the ChemDraw drawing program.
Will determine some physical and structural properties of compounds.
Will be able to use the Chem3D drawing program.
Will use all the features of the Chem3D program.
Will determine the bond length, bond angle, and dihedral angles of molecules.
Will calculate the minimization energies of molecules.
Will be able to use GaussView and Gaussian software packages.
Performs three-dimensional visualization of molecules with GaussView.
Determines bond length, bond angle, and dihedral angles of molecules with GaussView.
Performs DFT calculations with Gaussian software package.
Optimizes molecules using the DFT method.
Plots spectra by reading IR, UV, and NMR graphs from Gaussian calculation results.
Performs HOMO, LUMO, and MEP analyses of molecules from Gaussian calculation results.
Will be able to perform DFT calculations of molecules using drawing and calculation programs.
will evaluate the data obtained from the calculations.
will interpret the results obtained from the calculations.
will use DFT calculations in academic work such as project and article writing.