Reactive Collisional Spectroscopy: Scalar and Vector Information From Numerically Intensive Computing

Author:

Laganà Antonio1,Gervasi Osvaldo2,Alvariño José M.3

Affiliation:

1. Dipartimento di Chimica, Università di Perugia, Perugia, Italy

2. Centro di Calcolo, Università di Perugia, Perugia, Italy

3. Departamento de Quimica Fisica, Universidad de Salamanca, Salamanca, Spain

Abstract

Advances in computer technologies have made it possible to extend the numerical investigation of the detailed structure of reactive properties to several atom–diatom systems. This has allowed a better understanding of the energy structure of the reaction intermediate and of the role it plays when reaction occurs.

Publisher

Hindawi Limited

Subject

Spectroscopy,Biochemistry,Atomic and Molecular Physics, and Optics

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