Formaldehyde adsorption on the interior and exterior surfaces of CN nanotubes

Open and capped (5,5) armchair SWCNTs: A comparative study of DFT-based reactivity descriptors

(2012) Soumen Saha et al.   CHEMICAL PHYSICS LETTERS

B12N12 Nano-cage as Potential Sensor for NO2 Detection

(2012) Javad Beheshtian et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Comprehensive Study on the Dissociative Chemisorption of NH3 on the Sidewalls of Stone–Wales Defective Armchair (5,5) Single-Walled Carbon Nanotubes

(2012) M. A. Turabekova et al.   Journal of Physical Chemistry C

Surface Reactivity for Chlorination on Chlorinated (5,5) Armchair SWCNT: A Computational Approach

(2012) Soumen Saha et al.   Journal of Physical Chemistry C

AlN nanotube as a potential electronic sensor for nitrogen dioxide

(2012) Javad Beheshtian et al.   MICROELECTRONICS JOURNAL

Can aluminum nitride nanotubes detect the toxic NH3 molecules?

(2012) Ali Ahmadi Peyghan et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

A first-principles study of H2S adsorption and dissociation on the AlN nanotube

(2012) Javad Beheshtian et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Detection of phosgene by Sc-doped BN nanotubes: A DFT study

(2012) Javad Beheshtian et al.   SENSORS AND ACTUATORS B-CHEMICAL

A density functional theory study on acetylene-functionalized BN nanotubes

(2012) Mohammad T. Baei et al.   STRUCTURAL CHEMISTRY

Theoretical study of hydrogen adsorption on the B12P12 fullerene-like nanocluster

(2011) Javad Beheshtian et al.   COMPUTATIONAL MATERIALS SCIENCE

The H2 dissociation on the BN, AlN, BP and AlP nanotubes: a comparative study

(2011) Javad Beheshtian et al.   JOURNAL OF MOLECULAR MODELING

The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3

(2011) Ali Ahmadi et al.   STRUCTURAL CHEMISTRY

Quantum chemical investigation on structures of pyrrolic amides functionalized (5,5) single-walled carbon nanotube and their binding with halide ions

(2011) Siwinee Tetasang et al.   STRUCTURAL CHEMISTRY

A theoretical study of CO adsorption on aluminum nitride nanotubes

(2011) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Density functional study of super cell N-doped (10,0) zigzag single-walled carbon nanotubes as CO sensor

(2011) Masood Hamadanian et al.   STRUCTURAL CHEMISTRY

Cycloaddition of ethene on a series of single-walled carbon nanotubes

(2011) Daniel B. Lawson et al.   Computational and Theoretical Chemistry

Exploring the structural and electronic properties of nitrogen-containing exohydrogenated carbon nanotubes: a quantum chemistry study

(2010) M. Leonor Contreras et al.   STRUCTURAL CHEMISTRY

A periodic DFT study of water and ammonia adsorption on anatase TiO2 (001) slab

(2010) Rezan Erdogan et al.   SURFACE SCIENCE