Computational Efficiency of Intermolecular Gene Assembly

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid

Computational study of the intramolecular proton transfer between 6-hydroxypicolinic acid tautomeric forms and intermolecular hydrogen bonding in their dimers

This paper is a density functional theory (DFT) calculation of intramolecular proton transfer (IPT) in 6-hydroxypicolinic acid (6HPA, 6-hydroxypyridine-2-carboxylic acid) tautomeric forms. The transition state for the enol-to-keto transition is reported in the gas phase and in four different solvents. The planar and non-planar dimer forms of 6HPA keto and enol, respectively, were also studied i...

A computational chemistry investigation of the intermolecular interaction between ozone and isothiocyanic acid (HNCS)

The binding energy and geometrical structure of all the possible dimeric systems of isothiocyanic acid (HNCS) with ozone have been investigated in the gas phase, theoretically. Six minima located on the singlet potential energy surface of the HNCS–ozone system at the MP2 level with binding energies (corrected with ZPE and BSSE) in the range 492.29–531.40 kcal/mol. All intermolecular interaction...

A three-stage assembly flow shop scheduling problem with blocking and sequence-dependent set up times

This paper considers a three-stage assembly flowshop scheduling problem with sequence-dependent setup < /div> times at the first stage and blocking times between each stage in such a way that the weighted mean completion time and makespan are minimized. Obtaining an optimal solution for this type of complex, large-sized problem in reasonable computational time using traditiona...

Bi-objective Optimization for Just in Time Scheduling: Application to the Two-Stage Assembly Flow Shop Problem

This paper considers a two-stage assembly flow shop problem (TAFSP) where m machines are in the first stage and an assembly machine is in the second stage. The objective is to minimize a weighted sum of earliness and tardiness time for n available jobs. JIT seeks to identify and eliminate waste components including over production, waiting time, transportation, inventory, movement and defective...