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Article
Computational Studies on the ScnNm (n + m=10) Clusters: Structure, Electronic and Vibrational Properties
Besides the size and structure, compositions also dramatically affect the properties of clusters. In fact, the increased degree of freedom poses much more challenges to determine the global minimum structure o...
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Article
Open AccessFirst-principle study of structural, electronic and magnetic properties of (FeC)n (n = 1–8) and (FeC)8TM (TM = V, Cr, Mn and Co) clusters
The structural, electronic and magnetic properties of the (FeC)n (n = 1–8) clusters are studied using the unbiased CALYPSO structure search method and density functional theory. A combination of the PBE functiona...
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Article
Open AccessInsights into the structures and electronic properties of Cun+1 μ and CunS μ (n = 1–12; μ = 0, ±1) clusters
The stability and reactivity of clusters are closely related to their valence electronic configuration. Do** is a most efficient method to modify the electronic configuration and properties of a cluster. Con...
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Article
Thermal decomposition and non-isothermal decomposition kinetics of carbamazepine
The thermal stability and kinetics of isothermal decomposition of carbamazepine were studied under isothermal conditions by thermogravimetry (TGA) and differential scanning calorimetry (DSC) at three heating r...
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Article
Non-isothermal decomposition kinetics of diosgenin
The thermal stability and kinetics of isothermal decomposition of diosgenin were studied by thermogravimetry (TG) and Differential Scanning Calorimeter (DSC). The activation energy of the thermal decomposition...
