2020
DOI: 10.1007/s11224-020-01588-8
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Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers

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Cited by 7 publications
(3 citation statements)
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“…with accurate predictions for a highly diverse set of 133 organic polymers [35]. Numerous works reported attempts to predict polymer properties such as glass transition temperature, T g using QSPR [29,36,37,38,39]. The knowledge of T g defines domains of rigid structure or rubber-like properties for polymeric materials, and thus is of utmost importance for many appli-cations.…”
Section: Introductionmentioning
confidence: 99%
“…with accurate predictions for a highly diverse set of 133 organic polymers [35]. Numerous works reported attempts to predict polymer properties such as glass transition temperature, T g using QSPR [29,36,37,38,39]. The knowledge of T g defines domains of rigid structure or rubber-like properties for polymeric materials, and thus is of utmost importance for many appli-cations.…”
Section: Introductionmentioning
confidence: 99%
“…Quantitative structure–property relationship (QSPR) models have been successfully used for understanding, designing, and predicting material properties (glass transition temperature, boiling point, or partition coefficients, among many others). They are based on the premise that the chemical structure of materials is largely related to their properties, and therefore, materials with chemically similar structures will have similar observed properties.…”
Section: Introductionmentioning
confidence: 99%
“…The great advance in the field of polymeric materials, particularly in the relationship between the molecular structure and its properties, led to the incorporation of in silico tests [1][2][3][4][5]. They are virtual tests, carried out to know the polymeric material properties in the early stages of design, before being synthesized [6][7][8].…”
mentioning
confidence: 99%