Chemistry calculation methods

Instruction is in the form of lectures, exercises, and seminars. Some components are based on self-study, and it is important for students to be able to read and understand course literature in English. The course includes a number of integrated parallel components focused on chemical kinetics, chemical reactions, quantum chemistry, spectroscopy, molecular description, statistics, and graphical methods. The following mathematical concepts and methods are covered: - the definition and calculation principles of the derivative, derivatives of elementary functions, and implicit derivation - increasing and decreasing functions, polar extremes, asymptotes, and limit values - primitive functions, partial integration, and integration of elementary functions - ordinary differential equations to describe the zeroth, first, and second order of kinetics and connected processes - polar coordinates, complex numbers, linear equation systems, and matrix algebra - computer-based methods for solving linear equation systems - graphical methods, both manual and computer-based - basic statistics, expected value, variance, probability, uncertainty, accuracy, error propagation, and significance The mathematical concepts and methods are related in the course to calculation methods for chemical systems.