Theoretical study on the Al-doped ZnO nanoclusters for CO chemical sensors NL Hadipour, A Ahmadi Peyghan, H Soleymanabadi The Journal of Physical Chemistry C 119 (11), 6398-6404, 2015 | 435 | 2015 |
Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde A Ahmadi, NL Hadipour, M Kamfiroozi, Z Bagheri Sensors and Actuators B: Chemical 161 (1), 1025-1029, 2012 | 291 | 2012 |
Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies A Ahmadi Peyghan, NL Hadipour, Z Bagheri The Journal of Physical Chemistry C 117 (5), 2427-2432, 2013 | 258 | 2013 |
DFT study of NH3 adsorption on pristine, Ni-and Si-doped graphynes AA Peyghan, SF Rastegar, NL Hadipour Physics Letters A 378 (30-31), 2184-2190, 2014 | 239 | 2014 |
Response of Si-and Al-doped graphenes toward HCN: a computational study SF Rastegar, AA Peyghan, NL Hadipour Applied surface science 265, 412-417, 2013 | 185 | 2013 |
Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped C60 fullerenes: A first-principles study MK Hazrati, NL Hadipour Physics Letters A 380 (7-8), 937-941, 2016 | 142 | 2016 |
Understanding the nanoparticle–protein corona complexes using computational and experimental methods B Kharazian, NL Hadipour, MR Ejtehadi The international journal of biochemistry & cell biology 75, 162-174, 2016 | 137 | 2016 |
NO2 detection by nanosized AlN sheet in the presence of NH3: DFT studies SF Rastegar, AA Peyghan, HR Ghenaatian, NL Hadipour Applied surface science 274, 217-220, 2013 | 132 | 2013 |
Interaction of NH3 with aluminum nitride nanotube: electrostatic vs. covalent A Ahmadi, J Beheshtian, NL Hadipour Physica E: Low-dimensional Systems and Nanostructures 43 (9), 1717-1719, 2011 | 111 | 2011 |
Can aluminum nitride nanotubes detect the toxic NH3 molecules? AA Peyghan, A Omidvar, NL Hadipour, Z Bagheri, M Kamfiroozi Physica E: Low-dimensional Systems and Nanostructures 44 (7-8), 1357-1360, 2012 | 103 | 2012 |
Chemisorption of NH3 at the open ends of boron nitride nanotubes: a DFT study A Ahmadi, J Beheshtian, NL Hadipour Structural Chemistry 22, 183-188, 2011 | 103 | 2011 |
An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline … M Mirzaei, NL Hadipour The Journal of Physical Chemistry A 110 (14), 4833-4838, 2006 | 97 | 2006 |
The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3 A Ahmadi, M Kamfiroozi, J Beheshtian, NL Hadipour Structural Chemistry 22, 1261-1265, 2011 | 82 | 2011 |
Characteristics and nature of halogen bonds in linear clusters of NCX (X= Cl, and Br): an ab initio, NBO and QTAIM study MD Esrafili, NL Hadipour Molecular Physics 109 (20), 2451-2460, 2011 | 76 | 2011 |
DFT studies of acrolein molecule adsorption on pristine and Al-doped graphenes SF Rastegar, NL Hadipour, MB Tabar, H Soleymanabadi Journal of molecular modeling 19, 3733-3740, 2013 | 67 | 2013 |
Structure and Energetics of Complexes of B12N12 with Hydrogen HalidesSAPT(DFT) and MP2 Study S Yourdkhani, T Korona, NL Hadipour The Journal of Physical Chemistry A 119 (24), 6446-6467, 2015 | 65 | 2015 |
DFT explorations of quadrupole coupling constants for planar 5-fluorouracil pairs M Mirzaei, O Gülseren, N Hadipour Computational and Theoretical Chemistry 1090, 67-73, 2016 | 63 | 2016 |
The C-doped zigzag AlN nanotube: A computational NMR study M Mirzaei, A Seif, NL Hadipour Chemical Physics Letters 461 (4-6), 246-248, 2008 | 62 | 2008 |
Covalent hybridization of CNT by thymine and uracil: A computational study M Mirzaei, HR Kalhor, NL Hadipour Journal of Molecular Modeling 17, 695-699, 2011 | 61 | 2011 |
Relaxations of fluorouracil tautomers by decorations of fullerene-like SiCs: DFT studies A Kouchaki, O Gülseren, N Hadipour, M Mirzaei Physics Letters A 380 (25-26), 2160-2166, 2016 | 60 | 2016 |