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 SM ISO690:2012GORBACHEV, Mikhail, BUDEI, Olga, ARSENE, Ion, GORINCHOY, Natalia. Surface tension of liquids with π-conjugated planar molecules: DFT calculation. In: Journal of Molecular Liquids, 2014, vol. 190, pp. 50-53. ISSN 0167-7322. DOI: https://doi.org/10.1016/j.molliq.2013.10.017 |
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  Journal of Molecular Liquids |
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| Volumul 190 / 2014 / ISSN 0167-7322 | ||||||
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| DOI:https://doi.org/10.1016/j.molliq.2013.10.017 | ||||||
| Pag. 50-53 | ||||||
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It has been shown by means of the DFT calculations that the surface tension of various organic liquids, whose planar molecules have conjugated π-electron molecular orbitals, depends linearly on the specific parameter of liquids which includes their one-particle binding energy as a multiplier. The found dependence allows one to calculate this quantity of liquids using the data of quantum-chemical calculations |
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| Cuvinte-cheie DFT calculations, One-particle binding energy, surface tension |
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