Self-Assembly of Diamondoid Molecules and Derivatives (MD Simulations and DFT Calculations)

We report self-assembly and phase transition behavior of lower diamondoid molecules and their primary derivatives using molecular dynamics (MD) simulation and density functional theory (DFT) calculations. Two lower diamondoids (adamantane and diamantane), three adamantane derivatives (amantadine, me...

Full description

Bibliographic Details
Main Authors: Yong Xue, G. Ali Mansoori
Format: Article
Language:English
Published: MDPI AG 2010-01-01
Series:International Journal of Molecular Sciences
Subjects:
RDF
Online Access:http://www.mdpi.com/1422-0067/11/1/288/