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N- Propargylamines: versatile building blocks in the construction of thiazole cores

Beilstein journal of organic chemistry, 2017-03, Vol.13 (1), p.625-638

2017

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The effect of structural curvature on the cell voltage of BN nanotube based Na-ion batteries

Journal of molecular liquids, 2017-03, Vol.229, p.167-171

2017

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Na-ion batteries based on the inorganic BN nanocluster anodes: DFT studies

Journal of molecular graphics & modelling, 2017-06, Vol.74, p.1-7

2017

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Comparative study of the X-ray crystallography temperature, synthesis method, optical properties, NCI-RDG and Hirshfeld surface analyses of coordination polymer of [CuI(DAFO)(SCN)]n: an amenable precursor for CuO nanoparticles

Scientia Iranica, 2023-12

2023

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A DFT study on the central-ring doped HBC nanographenes

Journal of molecular graphics & modelling, 2017-05, Vol.73, p.101-107

2017

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Chloropicrin sensor based on the pristine BN nanocones: DFT studies

Structural chemistry, 2018-04, Vol.29 (2), p.585-592

2018

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On lithium doping in two stable nano-flakes of the B24: The double-ring versus the quasiplanar configuration

Journal of molecular graphics & modelling, 2018-01, Vol.79, p.213-222

2018

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Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies

Vacuum, 2017-02, Vol.136, p.156-162

2017

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A Density functional theory study of the sensitivity of two-dimensional BN nanosheet to nerve agents cyclosarin and tabun

Thin solid films, 2017-02, Vol.623, p.157-163

2017

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NO2 sensing properties of a borazine doped nanographene: A DFT study

Computational and theoretical chemistry, 2017-04, Vol.1106, p.36-42

2017

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Carbon nanocone as an electronic sensor for HCl gas: Quantum chemical analysis

Vacuum, 2016-12, Vol.134, p.40-47

2016

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A comparative computational study on the BN ring doped nanographenes

Applied surface science, 2017-02, Vol.396, p.740-745

2017

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Boosting the adsorption performance of BN nanosheet as an anode of Na-ion batteries: DFT studies

Physics letters. A, 2017-06, Vol.381 (24), p.2010-2015

2017

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The Hartree-Fock exchange effect on the CO adsorption by the boron nitride nanocage

Physica. E, Low-dimensional systems & nanostructures, 2017-03, Vol.87, p.308-311

2017

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Enhanced adsorption behavior of amended EDTA–graphene oxide for methylene blue and heavy metal ions

International journal of environmental science and technology (Tehran), 2019-12, Vol.16 (12), p.8151-8160

2019

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Solar energy absorption in norbornadiene-quadricyclane system through electron donating or withdrawing substituents1

Russian Journal of Physical Chemistry, 2011-05, Vol.85 (5), p.816-820

2011

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DFT study on the adsorption behavior and electronic response of AlN nanotube and nanocage toward toxic halothane gas

Physica. E, Low-dimensional systems & nanostructures, 2018-04, Vol.98, p.53-59

2018

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Toward simple model for the production of lithium phthalocyanine (LiPc) nanoflake through hydrogen transfer processes

Computational and theoretical chemistry, 2019-09, Vol.1164, p.112549, Article 112549

2019

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The ClCN adsorption on the pristine and Al-doped boron nitride nanosheet, nanocage, and nanocone: Density functional studies

Thin solid films, 2018-01, Vol.645, p.363-369

2018

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A theoretical study on the C 30 X 15 Y 15 (X = B, and Al; Y = N, and P) heterofullerenes

Computational and theoretical chemistry, 2017-09, Vol.1115, p.114-118

2017

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NO 2 sensing properties of a borazine doped nanographene: A DFT study

Computational and theoretical chemistry, 2017-04, Vol.1106, p.36-42

2017

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A theoretical study on the C30X15Y15 (X=B, and Al; Y=N, and P) heterofullerenes

Computational and theoretical chemistry, 2017-09, Vol.1115, p.114-118

2017

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A computational study on the SO2 adsorption by the pristine, Al, and Si doped BN nanosheets

Superlattices and microstructures, 2016-12, Vol.100, p.350-357

2016

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UV-Visible Absorption Study of Four-Substituted Norbornadiene- Quadricyclane System Through DFT Calculations

Asian journal of chemistry, 2013, Vol.25 (13), p.7633-7634

2013

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γ-Alumina Catalyzed Green Synthesis of Pyran’s Annulated Heterocyclic Systems via Three-Component Reaction

Iranian journal of science and technology. Transaction A, Science, 2016-06, Vol.40 (2), p.151-156

2016

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N- Propargylamines: versatile building blocks in the construction of thiazole cores

The effect of structural curvature on the cell voltage of BN nanotube based Na-ion batteries

Na-ion batteries based on the inorganic BN nanocluster anodes: DFT studies

Comparative study of the X-ray crystallography temperature, synthesis method, optical properties, NCI-RDG and Hirshfeld surface analyses of coordination polymer of [CuI(DAFO)(SCN)]n: an amenable precursor for CuO nanoparticles

A DFT study on the central-ring doped HBC nanographenes

Chloropicrin sensor based on the pristine BN nanocones: DFT studies

On lithium doping in two stable nano-flakes of the B24: The double-ring versus the quasiplanar configuration

Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies

A Density functional theory study of the sensitivity of two-dimensional BN nanosheet to nerve agents cyclosarin and tabun

NO2 sensing properties of a borazine doped nanographene: A DFT study

Carbon nanocone as an electronic sensor for HCl gas: Quantum chemical analysis

A comparative computational study on the BN ring doped nanographenes

Boosting the adsorption performance of BN nanosheet as an anode of Na-ion batteries: DFT studies

The Hartree-Fock exchange effect on the CO adsorption by the boron nitride nanocage

Enhanced adsorption behavior of amended EDTA–graphene oxide for methylene blue and heavy metal ions

Solar energy absorption in norbornadiene-quadricyclane system through electron donating or withdrawing substituents1

DFT study on the adsorption behavior and electronic response of AlN nanotube and nanocage toward toxic halothane gas

Toward simple model for the production of lithium phthalocyanine (LiPc) nanoflake through hydrogen transfer processes

The ClCN adsorption on the pristine and Al-doped boron nitride nanosheet, nanocage, and nanocone: Density functional studies

A theoretical study on the C 30 X 15 Y 15 (X = B, and Al; Y = N, and P) heterofullerenes

NO 2 sensing properties of a borazine doped nanographene: A DFT study

A theoretical study on the C30X15Y15 (X=B, and Al; Y=N, and P) heterofullerenes

A computational study on the SO2 adsorption by the pristine, Al, and Si doped BN nanosheets

UV-Visible Absorption Study of Four-Substituted Norbornadiene- Quadricyclane System Through DFT Calculations

γ-Alumina Catalyzed Green Synthesis of Pyran’s Annulated Heterocyclic Systems via Three-Component Reaction

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