To calculation non-bonded interaction of the [CoCl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride B18N18 nano ring. Thus, the geometry of B18N18 nano ring has been optimized by B3LYP method with EPR-II (Electron paramagnetic resonance) basis set and geometry of the [CoCl6]3- complex has been optimized at B3LYP method with Aldrich’s VTZ basis set and Stuttgart RSC 1...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

The purpose of this paper is multi-objective optimization of refrigeration cycle by optimization of all components of the cycle contains heat exchangers, air condenser, evaporator and super-heater. Studied refrigeration cycle is compression refrigeration cycle of unit 132 Third refineries in south pars that provide chilled water for cooling refinery equipment's. Cycle will be performed by t...

this paper presents a combination of data envelopment analysis (dea) and principal component analysis (pca) to reduce the dimensionality of data set. dea is known as effective tool for assessment and benchmarking. the weak point of dea, it is that the number of efficient dmus relies on the number of variables (inputs and outputs). for solving this, first, we do principal component analysis (pca...

This research set out to evaluate the effect of combined biological and chemical nitrogen fertilizers on some corn hybrids. To this end an experiment was conducted as split plot on the basis of randomized complete block design with four replications. Main plots were included: use of chemical and biological fertilizers in four levels: 100% chemical fertilizer, 75% chemical fertilizer + 100% bio-...

In this paper, weak defining hyperplanes and the anchor points in DEA, as an important subset of the set of extreme efficient points of the Production Possibility Set (PPS), are used to construct unobserved DMUs and in the long run to improve the envelopment of all observed DMUs. There has been a surge of articles on improving envelopment in recent years. What has been done first is in Constant...