ABSTRACT

In recent years, there has been a growing interest in the study of relativistic effects for molecules containing heavy elements. Part of the reason stems obviously from the increasing demand to understand details of various interesting phenomena in such systems from a theoretical point of view. Relativistic atomic and molecular calculations have already been reviewed extensively by various authors. 1–3 ) Although relativistic effects on spectroscopic and some other properties have been clarified in many examples, little attention has been paid to the relativistic effects in chemical reactions, especially in transition state structures and some related properties.