Investigation of Thermodynamics of its 3-Butadiene Monomeric Derivatives with Nanoparticles of Fullerenes, Nanotubes and Nano Cones at Room Temperature by DFT Method
In this study, trans-3-butadiene monomer derivatives with different carbon nanoparticles of the same mass (mass mass) under different temperature conditions were studied using density functional theory. For this purpose, the materials were first geometric optimized, then the thermodynamic parameters...
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| Format: | Article |
| Language: | English |
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Iranian Chemical Science and Technologies Association
2017-09-01
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| Series: | International Journal of New Chemistry |
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| Online Access: | http://www.ijnc.ir/article_35339_a8313b90396ed4b9294923c0962704e2.pdf |