ABSTRACT

Forensic science is continually developing into new areas and new methods of research. Other chapters discuss some of the new methods applied to the study of crime. is chapter describes the application of quantum chemistry to forensic science. One might be surprised that a purely theoretical method might prove useful to an area that is strictly concerned with experimental ndings, such as those occurring at the scene of a crime. However, it has to be taken into consideration that the identication of various indices such as bloodstains, ngerprints, DNA, and others are based on chemical reactions involving di’erent chemical reagents. To maximize the accuracy of these reactions, better and better reagents have to be found and one of the ways to proceed in this respect is to study the energetics of the given reactions. is is best accomplished by using quantum chemistry methods. Another domain in which quantum chemistry was proved to be useful is for the identication and characterization of presumed intermediates and by-products of reactions of interest in forensic science such as the illegal synthesis of drugs.