Structural-topological preferences and protonation sequence of aliphatic polyamines: a theoretical case study of tetramine trien.

QSPR Modeling of Heat Capacity, Thermal Energy and Entropy of Aliphatic Aldehydes by using Topological Indices and MLR Method

Use of Structure Codes (Counts) for Computing Topological Indices of Carbon Nanotubes: Sadhana (Sd) Index of Phenylenes and its Hexagonal Squeezes

Structural codes vis-a-vis structural counts, like polynomials of a molecular graph, are important in computing graph-theoretical descriptors which are commonly known as topological indices. These indices are most important for characterizing carbon nanotubes (CNTs). In this paper we have computed Sadhana index (Sd) for phenylenes and their hexagonal squeezes using structural codes (counts). Sa...

Study of pH influence on the stability of 175th codon of P53 genes by computational and modeling methods

P53 tumor suppressor gene, also known as “genome guardian” is mutated in more than half of allkind of cancers. In this study we have investigated the controls of environmental pH for P53 genemutation in point of specific sequence which is prone to mutagenesis. The most probable cancerousmutations occur as point mutations in exons 5-8 of P53 gene. The 175th codon of P53 is the thirdmost mutated ...

Presenting a Model for Female Customers Behavioral Preferences in selecting Banks based on Grounded Theory Method and Structural Equation Modeling (Case Study: Iran’s Banking Industry)

The customers ’preference is derived from reflection on a product or special commercial brand, and factors such as positive appraisal of a brand performance and holding advantages and being unique, establishes the preference. This study aimed to develop a model of female customers' preferences in selecting banks and to train senior managers and banking staff. It had an applied objective, adopte...

Application of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices

Abstract: In this study an appropriate computational approach was presented for estimating the boiling temperatures of 41 different types of olefins and their derivatives. Based on the guidelines of this approach, several structural indices related to the organic components were applied using graph theory. Meanwhile, in addition to evaluating the relation between the boiling temperatures of ole...