Browsing by Subject "Computational studies"
Now showing items 1-2 of 2
-
Ab initio study on the formation of triiodide CT complex from the reaction of iodine with 2,3-diaminopyridine
( Elsevier , 2010 , Article)The charge transfer (CT) interaction between iodine and 2,3-diaminopyridine (DAPY) has been thoroughly investigated via theoretical calculations. A Hartree–Fock, 3-21G level of theory was used to optimize and calculate the ... -
Minimizing the total completion time in a two-machine flowshop problem with time delays
( Taylor and Francis Ltd. , 2016 , Article)This article proposes to solve the problem of minimizing the total completion time in a two-machine permutation flowshop environment in which time delays between the machines are considered. For this purpose, an enumeration ...