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1.
Mathematical aspects of Wiener index
Martin Knor, Riste Škrekovski, Aleksandra Tepeh, 2016, original scientific article

Abstract: The Wiener index (i.e., the total distance or the transmission number), defined as the sum of distances between all unordered pairs of vertices in a graph, is one of the most popular molecular descriptors. In this article we summarize some results, conjectures and problems on this molecular descriptor, with emphasis on works we were involved in.
Keywords: Wiener index, total distance, topological index, molecular descriptor, chemical graph theory
Published in RUP: 03.01.2022; Views: 1109; Downloads: 33
.pdf Full text (434,58 KB)

2.
Edge-contributions of some topological indices and arboreality of molecular graphs
Tomaž Pisanski, Janez Žerovnik, 2009, original scientific article

Abstract: Some graph invariants can be computed by summing certain values, called edge-contributions over all edges of graphs. In this note we use edge-contributions to study relationships among three graph invariants, also known as topological indices in mathematical chemistry: Wiener index, Szeged index and recently introduced revised Szeged index. We also use the quotient between the Wiener index and the revised Szeged index to study tree-likeness of graphs.
Keywords: mathematical chemistry, chemical graph theory, topological index, revised Szeged index
Published in RUP: 30.12.2021; Views: 855; Downloads: 18
.pdf Full text (158,93 KB)

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The formation of passivation in internally oxidized Ag-based alloys
Jožica Bezjak, 2012, original scientific article

Abstract: The aim of this research was to analyse the inhibition of internal passivation by changing the chemical composition of silver alloys and to estimate the concentration boundaries of the selected microalloying element at which the passivation is still inhibited. Since, the ability of inocculationor modification is mostly based on the large free energy of formation of oxides of microalloying elements and their crystallographic similarity, Mg in the quantities of 0.001 to 0.5 mass% was chosen as a microalloying element for Ag-based alloys in addition to the main alloying element (Yn). For the Ag-5.8%Yn alloy, the boundary conditions of the inhibition of passivation were established. For concentrations of MgO below 0.005 vol.% not enough nuclei are formed. For too high concentration of MgO (above 1.2 vol.%) defect microstructures are formed which are characteristic for MgO precipitation. This produces a local or general passivation. By changing the composition of microalloying the internal passivation of Ag-5.8%Yn alloy could not only be inhibited but increased. Thus under some microalloying conditions much bigger depths of internal oxidation were reached.
Keywords: internal oxidation, chemical composition, silver alloys
Published in RUP: 15.10.2013; Views: 3759; Downloads: 25
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