Abstract
Twenty-nine nanomaterials (atom composition and conditions of syntheses) have been studied. Their characteristics were applied to predictions of Young's modulus values (in GPa). The obtained statistical characteristics of the models are reasonably good, n = 21, r2 = 0.9757, s = 18.3 GPa, F = 761 (training set) and n = 8, r2 = 0.8952, rpred 2 = 0.8880, s = 34.7 GPa, F = 51 (test set).
| Original language | English |
|---|---|
| Pages (from-to) | 125-129 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 433 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - Dec 29 2006 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
- Condensed Matter Physics
Fingerprint Dive into the research topics of 'A new approach to the characterization of nanomaterials: Predicting Young's modulus by correlation weighting of nanomaterials codes'. Together they form a unique fingerprint.
Cite this
Toropov, A. A., & Leszczynski, J. (2006). A new approach to the characterization of nanomaterials: Predicting Young's modulus by correlation weighting of nanomaterials codes. Chemical Physics Letters, 433(1-3), 125-129. https://doi.org/10.1016/j.cplett.2006.11.010