Artículo
Weissmann, M.; Cohan, N.V. "Molecular orbital study of ionic defects in ice" (1965) The Journal of Chemical Physics. 43(1):124-126
Consulte la política de Acceso Abierto del editor
Abstract:
The potential energy for the diffusion of positive and negative defects in ice is calculated by a SCF-MOLCAO procedure. The resulting height of the potential energy barrier for positive defects is much lower than for negative ones, thus explaining qualitatively the greater mobility of the H 3O+ ions. It is also found that the potential-energy heights are very sensitive to the distance between the oxygens, the diffusion being greater when the oxygens are nearer. The results obtained suggest therefore that the diffusion of positive defects is correlated to the vibrations of the lattice.
Registro:
| Documento: | Artículo |
| Título: | Molecular orbital study of ionic defects in ice |
| Autor: | Weissmann, M.; Cohan, N.V. |
| Filiación: | Facultad de Ciencias Exactas y Naturales, Perú 272, Buenos Aires, Argentina Consejo Nacional de Investigaciones Cientificas y Técnicas, Buenos Aires, Argentina Department of Chemistry, University of Pennsylvania, Philadelphia, PA, United States |
| Año: | 1965 |
| Volumen: | 43 |
| Número: | 1 |
| Página de inicio: | 124 |
| Página de fin: | 126 |
| DOI: | http://dx.doi.org/10.1063/1.1696439 |
| Título revista: | The Journal of Chemical Physics |
| ISSN: | 00219606 |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v43_n1_p124_Weissmann.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v43_n1_p124_Weissmann |
Citas:
---------- APA ----------
Weissmann, M. & Cohan, N.V. (1965) . Molecular orbital study of ionic defects in ice. The Journal of Chemical Physics, 43(1), 124-126.http://dx.doi.org/10.1063/1.1696439
---------- CHICAGO ----------
Weissmann, M., Cohan, N.V. "Molecular orbital study of ionic defects in ice" . The Journal of Chemical Physics 43, no. 1 (1965) : 124-126.http://dx.doi.org/10.1063/1.1696439
---------- MLA ----------
Weissmann, M., Cohan, N.V. "Molecular orbital study of ionic defects in ice" . The Journal of Chemical Physics, vol. 43, no. 1, 1965, pp. 124-126.http://dx.doi.org/10.1063/1.1696439
---------- VANCOUVER ----------
Weissmann, M., Cohan, N.V. Molecular orbital study of ionic defects in ice. 1965;43(1):124-126.http://dx.doi.org/10.1063/1.1696439
