TNT interaction with BN Nanocone: A comprehensive computational study
1. TNT interaction with BN Nanocone: A comprehensive computational study

Mohammad Reza Jalali Sarvestani

Volume 3, Issue 4 , Autumn 2020, , Pages 317-328

http://dx.doi.org/10.26655/jmchemsci.2020.4.1

Abstract
  In this study, trinitrotoluene (TNT) adsorption on the surface of the boron nitride nanocone was investigated using the infra-red (IR), natural bond orbital (NBO), and frontier molecular ...  Read More