Literature DB >> 19256599

Theoretical characterization of electronic states in interacting chemical systems.

Andrea Amadei1, Maira D'Alessandro, Marco D'Abramo, Massimiliano Aschi.   

Abstract

In this article we characterize, by means of the perturbed matrix method, the response of the electronic states of a chemical system to the perturbing environment. In the theory section we describe in detail the basic derivations and implications of the method, extending its theoretical framework to treat possible excitonic effects, and we show how to characterize the perturbed electronic states. Finally, by using a set of chemical systems interacting with complex atomic-molecular environments, we describe the nature and general features of the electronic state mixing and transitions as caused by atomic and molecular interactions.

Mesh:

Year:  2009        PMID: 19256599     DOI: 10.1063/1.3080887

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Theoretical-computational modeling of charge transfer and intersystem crossing reactions in complex chemical systems.

Authors:  Andrea Amadei; Massimiliano Aschi
Journal:  RSC Adv       Date:  2018-08-06       Impact factor: 4.036

Review 2.  Theoretical Modeling of Redox Potentials of Biomolecules.

Authors:  Cheng Giuseppe Chen; Alessandro Nicola Nardi; Andrea Amadei; Marco D'Abramo
Journal:  Molecules       Date:  2022-02-05       Impact factor: 4.411

  2 in total

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