Exohedral and endohedral adsorption of alkaline earth cations in BN nanocluster

B12N12 Nano-cage as Potential Sensor for NO2 Detection

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

Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational study

(2012) Javad Beheshtian et al.   JOURNAL OF MOLECULAR MODELING

Interaction of small molecules (NO, H2, N2, and CH4) with BN nanocluster surface

(2012) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Theoretical study of CO adsorption on the surface of BN, AlN, BP and AlP nanotubes

(2012) Javad Beheshtian et al.   SURFACE SCIENCE

Hydrogen Bonding in the Electronic Excited State

(2011) Guang-Jiu Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Benchmarking of ONIOM method for the study of NH3 dissociation at open ends of BNNTs

(2011) Ali Ahmadi et al.   JOURNAL OF MOLECULAR MODELING

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

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

A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages

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

Toxic CO detection by B12N12 nanocluster

(2011) Javad Beheshtian et al.   MICROELECTRONICS JOURNAL

Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde

(2011) Ali Ahmadi et al.   SENSORS AND ACTUATORS B-CHEMICAL

Reactivities of Sites on (5,5) Single-Walled Carbon Nanotubes with and without a Stone-Wales Defect

(2010) T. C. Dinadayalane et al.   Journal of Chemical Theory and Computation

Spin polarized bonding analysis of endohedral boron nitride nanocages: Density functional theory study

(2010) Ahmad Reza Oliaey et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Chemisorption of NH3 at the open ends of boron nitride nanotubes: a DFT study

(2010) Ali Ahmadi et al.   STRUCTURAL CHEMISTRY

Site-Specific Solvation of the Photoexcited Protochlorophyllide a in Methanol: Formation of the Hydrogen-Bonded Intermediate State Induced by Hydrogen-Bond Strengthening

(2007) Guang-Jiu Zhao et al.   BIOPHYSICAL JOURNAL

The group III–V's semiconductor energy gaps predicted using the B3LYP hybrid functional

(2007) S. Tomić et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES