New Editorial Article in Applied Science (IF 2.474)

Please, check our recent publication in Applied Science (IF 2.474):

The Application of Quantum Mechanics in Reactivity of Molecules

Sérgio F. Sousa

DOI: 10.3390/app11031132 | Applied Sciences

Over the last few decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT (Density Functional Theory methods)), has promoted the widespread penetration of quantum mechanics applications into a variety of fields targeting the reactivity of molecules. This editorial and corresponding special issue attempt to illustrate the conceptual diversity of the applications of quantum mechanics in the study of the electronic structure of molecules and their reactivity. 

Leave a comment