Teoretične lastnosti Jadranskih indeksov in Jadranskih matrik / Theoretical properties of the Adriatic indices and the Adriatic matrices
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Naziv Tittle |
Teoretične lastnosti Jadranskih indeksov in Jadranskih matrik / Theoretical properties of the Adriatic indices and the Adriatic matrices |
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Akronim Acronim |
BI-HR/14-15-001 |
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Opis Description |
(SI) Poudarek predlaganega projekta so Jadranski indeksi, katere je sprva predlagal in
preučeval hrvaški vodja projekta. Prav tako so opredeljeni kot vsote nad povezavah
molekulskega grafa, vendar na modularni način, tako da različne izbire delov definicije
privedejo do skupno 148 različnih Jadranskih indeksov. Začetna raziskava je pokazala, da
so nekateri od teh deskriptorjev dobri napovedniki za lastnosti, kot so izparilna entalpija za
oktanske izomerje ali koeficient logaritma dejavnosti vode za poliklorobifenile. (EN) The focus of the proposed project is the Adriatic Indices, initially proposed and studied by the Croatian project leader. They are also defined as sums over the links of a molecular graph, but in a modular way, so that different choices of parts of the definition lead to a total of 148 different Adriatic indices. Initial research has shown that some of these descriptors are good predictors for properties such as the evaporation enthalpy for octane isomers or the logarithm of the water activity coefficient for polychlorobiphenyls. |
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Trajanje Duration |
13/05/2014 - 31/12/2015 |
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Vodja projekta Project Leader |
dr. Dragan Stevanović |
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Sodelujoče organizacije Participating organizations |
Univerza u Splitu, Prirodoslovnomatematički fakultet |
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Oddelek Department |
Oddelek za matematiko IAM |