New discoveries in physical chemistry and physics among with development of IT technologies require new forms and methods of these disciplines teaching. Present monograph provides such new methods of quantum chemistry teaching in contemporary informational space regarding the content and the forms of knowledge presentation. It contains theoretical description with examples of practical problems with solutions in physical chemistry and is based on the author´s graph methodology of teaching proven in pedagogical experiments with over 400 students. The monograph shows how the recent researches in spectroscopy may be applied to the learning process in physical chemistry.