Symmetry arguments in chemistry

Symmetry in chemistry

Symmetry and chemistry have been in a fruitful interplay, initially in spectroscopy and crystallography, lately in more traditional domains of chemistry, such as reactivity and conformational analysis. A simple phenomenological approach suffices to get an idea about the symmetries of molecules whereas group theoretical approach greatly facilitates the understanding of molecular vibrations, elec...

Symmetry in Organic Chemistry

Measuring Symmetry in Structural Chemistry

Symmetry is treated as a continuous property and a Continuous Symmetry Measure (CSM) of structures is de ned. The CSM of a structure is de ned to be the minimummean squared distance required to move points of the original structure and change it to a symmetrical structure. This general de nition of a symmetrymeasure enables a comparison of the amount of symmetry of di erent shapes and the amoun...

Measuring Symmetry in Structural Chemistry yx

Symmetry is treated as a continuous property and a Continuous Symmetry Measure (CSM) of structures is de ned. The CSM of a structure is de ned to be the minimummean squared distance required to move points of the original structure and change it to a symmetrical structure. This general de nition of a symmetrymeasure enables a comparison of the amount of symmetry of di erent shapes and the amoun...

Symmetry Adaptation and Wigner-Racah Algebras in Quantum Chemistry

The Wigner-Racah algebra of an arbitrary (finite or compact continuous) group is presented in an original way that constitutes a straightforward extension of the corresponding algebra of the rotation group. Illustrative examples are given around the rotation group and the octahedral group. The adaptation of the Wigner-Racah algebra of the double rotation group to one of its subgroups G is discu...