Descriptors as probes for inter-molecular interactions and external perturbation
| Title | Descriptors as probes for inter-molecular interactions and external perturbation |
| Publication Type | Book Chapter |
| Year of Publication | 2012 |
| Authors | Pal, S |
| Editor | Putz, MV, Mingos, DMP |
| Book Title | Applications of Density Functional Theory to Chemical Reactivity |
| Series Title | Structure and Bonding |
| Volume | 149 |
| Pagination | 131-158 |
| Publisher | Springer |
| City | 233 Spring Street, New York, NY 10013, United States |
| ISBN | 0081-5993 |
| ISBN Number | 978-3-642-32753-7; 978-3-642-32752-0 |
| Keywords | Conceptual density functional theory, Electric field effect, Global reactivity descriptors, HSAB, Local HSAB, Local reactivity descriptors |
| Abstract | In this article, different reactivity descriptors have been reviewed. Conceptual density functional theory is an important area where a lot of interesting developments in terms of descriptors and molecule interactions have taken place in recent years. This review will highlight our own work on such development of descriptors and their applications to characterise stability and reactivity in molecule systems. |
| DOI | 10.1007/978-3-642-32753-7_4 |
Divison category:
Physical and Materials Chemistry