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Teoretične lastnosti Jadranskih indeksov in Jadranskih matrik / Theoretical properties of the Adriatic indices and the Adriatic matrices

Naziv

Tittle

Teoretične lastnosti Jadranskih indeksov in Jadranskih matrik / Theoretical properties of the Adriatic indices and the Adriatic matrices

Akronim

Acronim

BI-HR/14-15-001

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.

Trajanje

Duration

13/05/2014 - 31/12/2015

Vodja projekta

Project Leader

dr. Dragan Stevanović

Sodelujoče organizacije

Participating organizations

Univerza u Splitu, Prirodoslovnomatematički fakultet

Oddelek

Department

Oddelek za matematiko IAM
University of Primorska

Andrej Marušič Institute
UP IAM

Muzejski trg 2
6000 Koper
Slovenia

tel.: +386 (0)5 611 75 91
fax.: +386 (0)5 611 75 92
e-mail: info@iam.upr.si
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