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 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
- Condensed Matter Physics
Cite this
A new approach to the characterization of nanomaterials : Predicting Young's modulus by correlation weighting of nanomaterials codes. / Toropov, Andrey A.; Leszczynski, Jerzy.
In: Chemical Physics Letters, Vol. 433, No. 1-3, 29.12.2006, p. 125-129.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A new approach to the characterization of nanomaterials
T2 - Predicting Young's modulus by correlation weighting of nanomaterials codes
AU - Toropov, Andrey A.
AU - Leszczynski, Jerzy
PY - 2006/12/29
Y1 - 2006/12/29
N2 - 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).
AB - 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).
UR - http://www.scopus.com/inward/record.url?scp=33845296955&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33845296955&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2006.11.010
DO - 10.1016/j.cplett.2006.11.010
M3 - Article
AN - SCOPUS:33845296955
VL - 433
SP - 125
EP - 129
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-3
ER -