Literature DB >> 23020320

Electron scattering cross sections from HCN over a broad energy range (0.1-10,000 eV): Influence of the permanent dipole moment on the scattering process.

A G Sanz1, M C Fuss, F Blanco, F Sebastianelli, F A Gianturco, G García.   

Abstract

We report theoretical integral and differential cross sections for electron scattering from hydrogen cyanide derived from two ab initio scattering potential methods. For low energies (0.1-100 eV), we have used the symmetry adapted-single centre expansion method using a multichannel scattering formulation of the problem. For intermediate and high energies (10-10,000 eV), we have applied an optical potential method based on a screening corrected independent atom representation. Since HCN is a strong polar molecule, further dipole-induced excitations have been calculated in the framework of the first Born approximation and employing a transformation to a space-fixed reference frame of the calculated K-matrix elements. Results are compared with experimental data available in the literature and a complete set of recommended integral elastic, inelastic, and total scattering cross sections is provided from 0.1 to 10,000 eV.

Entities:  

Mesh:

Substances:

Year:  2012        PMID: 23020320     DOI: 10.1063/1.4754661

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


  2 in total

1.  Absolute Differential Cross-Sections for Elastic Electron Scattering from Sevoflurane Molecule in the Energy Range from 50-300 eV.

Authors:  Jelena Vukalović; Jelena B Maljković; Francisco Blanco; Gustavo García; Branko Predojević; Bratislav P Marinković
Journal:  Int J Mol Sci       Date:  2021-12-21       Impact factor: 5.923

2.  A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0-100 eV.

Authors:  Filipe Costa; Ali Traoré-Dubuis; Lidia Álvarez; Ana I Lozano; Xueguang Ren; Alexander Dorn; Paulo Limão-Vieira; Francisco Blanco; Juan C Oller; Antonio Muñoz; Adrián García-Abenza; Jimena D Gorfinkiel; Alessandra S Barbosa; Marcio H F Bettega; Peter Stokes; Ronald D White; Darryl B Jones; Michael J Brunger; Gustavo García
Journal:  Int J Mol Sci       Date:  2020-09-22       Impact factor: 5.923

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.