stabilities and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized (8,0) zigzag and (4,4) armchair carbon nanotubes (cnts) complexes in water were studied using density functional theory (dft) calculations. two attachments namely the sidewall- and tip-attachments are considered for the model constructions. calculations of the total electronic energy (et) and ...

it is necessary to care the quantity and quality of the water resources especially in arid and semi-arid regions. shahrekord plain where it has a 551 km2 total area, groundwater is discharging almost 255 mcm annually and uses for drinking and agriculture. the main objective of this study was classification of groundwater quality and comparison with the drinking water standard limits in shahreko...

Glass ionomer cement (GIC) represents a major transformation in restorative dentistry. Wear of dental restoratives is a common phenomenon and the determination of the wear resistance of direct-restorative materials is a challenging task. The aim of this paper was to evaluate the wear resistance of novel glass ionomer cement by two wear-test methods and to compare the two wear methods.The wear r...

We consider the problem of minimizing the total late work ( n ∑ j=1 V j) on an unbounded batch processing machine, where V j = min{Tj, p j} and Tj = max{C j−d j,0}. The batch processing machine can process up to B (B≥ n) jobs simultaneously. The jobs that are processed together form a batch, and all jobs in a batch start and complete at the same time, respectively. For a batch of jobs, the proc...

Abstract The one clean qubit model (or the DQC1 model) is a restricted model of quantum computing where only a single input qubit is pure and all other input qubits are maximally mixed. In spite of the severe restriction, the model can solve several problems (such as calculating Jones polynomials) whose classical efficient solutions are not known. Furthermore, it was shown that if the output pr...

Baker and Nuttle [1] studied the following single-variable-resource scheduling problem: sequencing n jobs for processing by a single resource to minimize a function of job completion times, when the availability of the resource varies over time. When the objective function to be minimized is the total weighted completion time, Baker and Nuttle conjectured that the problem is NP-hard. We show in...

We prove the NP–hardness of the following decision problem: given a complete graph with edge weights we ∈ Z+, k ∈ Z+, and w ? ∈ Z+. Does there exist an edge induced subgraph with exactly k nodes and total weight at least w while each connected component is a star, i.e. a tree of depth 1.

Most commonly known hard transition-metal nitrides crystallize in rocksalt structure (B1). The discovery of ultraincompressible pyrite-type PtN2 10 years ago has raised a question about the cause of its exceptional mechanical properties. We answer this question by a systematic computational analysis of the pyrite-type PtN2 and other transition-metal pernitrides (MN2) with density functional the...