USE OF SOME MODERN MODALITIES OF QUANTUM CHEMICAL CALCULATION OF THE ENERGY STATUS OF MOLECULAR SYSTEMS WITHIN THE CHEMISTRY COURSE

Abstract

 The use of contemporary technologies in the training process opens up new opportunities in the
formation and development of professional competencies specific to the fields, as well as for the
achievement of some distinct individual tasks. The quantum-chemical studies of energy systems and
phenomena within the Chemistry course allow the deep understanding of some aspects of energy status,
spatial configuration, molecular architecture, prognosis of molecular changes, displayed properties etc.
Using the computer-based quantum-chemical methods we obtain an efficient and attractive
interdisciplinary model of study: the molecule / phenomenon - the support of information technologies -
quantum-chemical studies - the consciousness of composition-structure-properties correlation →
motivation for training and formation of the competencies specific to Chemistryformation and development of professional competencies specific to the fields, as well as for the
achievement of some distinct individual tasks. The quantum-chemical studies of energy systems and
phenomena within the Chemistry course allow the deep understanding of some aspects of energy status,
spatial configuration, molecular architecture, prognosis of molecular changes, displayed properties etc.
Using the computer-based quantum-chemical methods we obtain an efficient and attractive
interdisciplinary model of study: the molecule / phenomenon - the support of information technologies -
quantum-chemical studies - the consciousness of composition-structure-properties correlation →
motivation for training and formation of the competencies specific to Chemistry