Structural characteristics of liquid nitromethane at the nanoscale confinement in carbon nanotubes

A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane

(2013) S. Appalakondaiah et al.   JOURNAL OF CHEMICAL PHYSICS

POLYMERIC NITROGEN CHAINS CONFINED IN CARBON NANOTUBE BUNDLE

(2012) FAWEI ZHENG et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Reactive Molecular Dynamics Simulation of Solid Nitromethane Impact on (010) Surfaces Induced and Nonimpact Thermal Decomposition

(2012) Feng Guo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Interaction of Carbon Nanotube with Ethylene Glycol–Water Binary Mixture: A Molecular Dynamics and Density Functional Theory Investigation

(2012) K. Balamurugan et al.   Journal of Physical Chemistry C

Enhanced Thermal Decomposition of Nitromethane on Functionalized Graphene Sheets: Ab Initio Molecular Dynamics Simulations

(2012) Li-Min Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF

(2011) Naomi Rom et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics

(2011) Si-ping Han et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Energetic Molecules Encapsulated Inside Carbon Nanotubes and between Graphene Layers: DFT Calculations

(2011) Manuel Smeu et al.   Journal of Physical Chemistry C

Molecular dynamics study of the crystallization of nitromethane from the melt

(2010) Ali Siavosh-Haghighi et al.   JOURNAL OF CHEMICAL PHYSICS

Structure of Polynitrogen Clusters Encapsulated in C60: A Density Functional Study

(2010) Hitesh Sharma et al.   Journal of Physical Chemistry C

Thermal Decomposition of the Solid Phase of Nitromethane:Ab InitioMolecular Dynamics Simulations

(2010) Jing Chang et al.   PHYSICAL REVIEW LETTERS

Thermal stability and formation barrier of a high-energetic material N8 polymer nitrogen encapsulated in (5,5) carbon nanotube

(2009) Wei Ji et al.   APPLIED PHYSICS LETTERS

Rearrangement and thermal decomposition of nitromethane confined inside an armchair (5,5) single-walled carbon nanotube

(2009) Luoxin Wang et al.   CHEMICAL PHYSICS

Polymeric nitrogen in a graphene matrix: Anab initiostudy

(2009) V. Timoshevskii et al.   PHYSICAL REVIEW B

Molecular Simulation of Water in Carbon Nanotubes

(2008) Alessio Alexiadis et al.   CHEMICAL REVIEWS

Nanoscale High Energetic Materials: A Polymeric Nitrogen ChainN8Confined inside a Carbon Nanotube

(2008) Hakima Abou-Rachid et al.   PHYSICAL REVIEW LETTERS