Molecular Structure Electronic and Vibrational Spectra Theoretical Calculations in Materials Sciences

<p>The dialectic of science progress lies in the fact that today's experiments may give way to tomorrow's theories rendering such experiments obsolete but such theories in turn may be challenged by newer experiments the following day thus pushing the boundaries of knowledge. This Reprint offers an example of this principle in action with regard to structural and spectroscopic research; using examples of various chemical compounds and materials it demonstrates the insights and pragmatism of studies that explore the interplay between experiment and theory.</p>