DULEY, SOMA ; VIGNERESSE, JEAN-LOUIS ; CHATTARAJ, PRATIM KUMAR (2012) Fitness landscapes in natural rocks system evolution: A conceptual DFT treatment# Journal of Chemical Sciences, 124 (1). pp. 29-34. ISSN 0974-3626
Full text not available from this repository.
Official URL: http://doi.org/10.1007/s12039-011-0187-z
Related URL: http://dx.doi.org/10.1007/s12039-011-0187-z
Abstract
The chemical reactivity descriptors, such as electronegativity, hardness and electrophilicity of major oxides computed from density functional theory are reported in this paper. These parameters are plotted within a fitness landscape diagram, showing that the principles of minimum electrophilicity (MEP) and maximum hardness (MHP) act as guides towards the region of higher stability. The diagrams indicate the trends and the parameters that control the evolution of natural rocks. Application of the principle S-bearing copper compounds shows the possible and preferred combinations of elements, that give rise to compounds observed during ore formation.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer Nature Switzerland AG |
| Keywords: | Fitness landscape;maximum hardness principle;minimum electrophilicity principle;natural rocks evolution |
| ID Code: | 133811 |
| Deposited On: | 30 Dec 2022 09:13 |
| Last Modified: | 30 Dec 2022 09:13 |
Repository Staff Only: item control page
