THEORETICAL EVALUATION OF NEW DERIVATIVES OF THE TETRAHEDRANE NITRATOXYCARBON

  • Luis G. Calvo Autor
  • Rodolfo Pumachagua Autor
DOI: https://doi.org/10.37761/rsqp.v81i1.6
Keywords: Nitratoxycarbon, tetrahedrane, platonic hydrocarbon, B3LYP

Abstract

We calculated the properties of nitratoxycarbon tetrahedrane derivatives using the methods:
Hartree-Fock and density functional theory. We assessed structure, the electronic properties
and energy profile to show Mulliken population analysis that the increase of nitratoxycarbon
groups reduce the burdens of the oxygen’s of the group substituent.

Downloads

Download data is not yet available.

Author Biographies

Luis G. Calvo, Autor

Universidad Nacional Federico Villarreal, Facultad de Ciencias Naturales y Matemáticas, Laboratorio de Química
Teórica, Jr. Chepen s/n (El Agustino) Perú.

Rodolfo Pumachagua, Autor

Federico Villarreal National University, Faculty of Natural and Mathematical Sciences, Chemistry Laboratory
Theoretical, Jr. Chepen s / n (El Agustino) Peru.

Published
2015-03-31
Issue
Vol. 81 No. 1 (2015): Journal of the Chemical Society of Peru
Section
Artículos

Copyright (c) 2015 Sociedad Química del Perú

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Revista Arbitrada
Derechos reservados: Prohibido el uso total o parcial del material de esta revista sin indicar la fuente de origen.
Nota: Las referencias comerciales que aparecen en los trabajos no constituyen una recomendación de la
Sociedad Química del Perú