We employ the molecular dynamics simulations to study the dynamics of acetanilide (ACN)
molecules placed on a flat surface of planar multilayer hexagonal boron nitride. We …

Natural gas (NG) is an interesting primary fuel; its larger-scale use is hindered by the
difficulties of storing it under high pressures or low temperatures; a viable alternative is its …

The orientation of molecules on surface is very important in the design of nanomaterials.
Molecular dynamics simulation was used to study the mechanism of n-alkane molecules …

The molecular films as candidates for functional electronic materials has prompted
numerous investigations of underlying mechanisms for their structure and formation. We …

Context Single-wall carbon nanotubes (SWCNT) dispersed in water with the help of sodium
dodecyl sulfate (SDS) surfactants exhibit a temperature dependent near infrared (NIR) …

The organic functionalized modification of graphene surface is of great significance for the
fabrication of graphene based composites. And the study of fold of alkyl groups under the …

This work is aiming at exploration of agglomeration process leading to the increasing
pollution potential of pyrolytic coke particles in effluent of steam crackers before entering the …

Single-walled carbon nanotubes (SWNT) exhibit a temperature dependent near infrared
(NIR) exciton spectrum when solvated in water with the help of sodium dodecyl sulfate …

We study numerically the dynamics of acetanilide (ACN) molecules placed on a flat surface
of a multilayer hexagonal boron nitride structure. We demonstrate that the ACN molecules …

How can computer modeling and simulation tools be used to understand and analyze
common situations and everyday problems? Readers will find here an easy-to-follow …