270048 VO Calculation Methods in Physical Chemistry (2012S)

Introduction into important tools of physical chemistry for handling and analysis of data (interpolation, regression, etc.) and rating their significance (propagation of uncertainties, statistical treatment of uncorrelated and correlated data). Overview of numerical techniques (fouriertransformation, numerical integration and differentiation, systems of linear equations, transcendental equations and differential equations) used for physical chemical problems that cannot be treated by analytic methods.