Akademik Dersler - İçerik

Understanding the Fundamental Principles of Computational Chemistry
Explains the fundamental concepts of computational chemistry.
Describes and compares semi-empirical, ab initio, and DFT methods.
Using Molecular Modeling and Computational Software
Constructs and visualizes molecular structures using ChemDraw and GaussView.
Performs geometry optimization and vibrational frequency calculations using Gaussian software.
Performing Molecular and Electronic Structure Analyses
Performs HOMO-LUMO and molecular electrostatic potential (MEP) analyses.
Calculates electronic excitations and UV-Vis spectra using TD-DFT methods.
Evaluating and Interpreting Computational Results
Visualizes computational results using appropriate software.
Analyzes and interprets the obtained data in terms of molecular structure and chemical properties.