Automatic Determination of Oxidation Number on in-silico basis using Electronegativity through a Semantic Markup system in XML | Zendy

Durairaj Vijayasarathi | Zendy; Vinoth Panneerselvam | Zendy; Asok Kumar | Zendy; Punnaivanam Sankar | Zendy

Open Access

Automatic Determination of Oxidation Number on in-silico basis using Electronegativity through a Semantic Markup system in XML

Author(s) -

Durairaj Vijayasarathi,

Vinoth Panneerselvam,

Asok Kumar,

Punnaivanam Sankar

Publication year - 2016

Publication title -

international journal of computer applications

Language(s) - English

Resource type - Journals

ISSN - 0975-8887

DOI - 10.5120/ijca2016911477

Subject(s) - computer science , xml , basis (linear algebra) , information retrieval , electronegativity , markup language , in silico , world wide web , chemistry , mathematics , organic chemistry , biochemistry , geometry , gene

A methodology to determine the oxidation numbers of every atom in a chemical structure is arrived on in-silico basis. This method involves a structure markup system developed in XML, where the electron environment of every atom is encoded explicitly. The calculation of oxidation number is achieved automatically through a structure editor, ChemEd utilizing the electronegativity attributes of every atom in the structure markup.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research