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Chalcogen bonds formed through π-holes: SO 3 complexes with nitrogen and phosphorus bases

Molecular physics, 2016-01, Vol.114 (2), p.276-282

2016

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Methylamine adsorption and decomposition on B12N12 nanocage: A density functional theory study

Surface science, 2014-08, Vol.626, p.44-48

2014

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Potential of C-doped boron nitride fullerene as a catalyst for methanol dehydrogenation

Computational materials science, 2014-09, Vol.92, p.172-177

2014

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A DFT study on the possibility of using boron nitride nanotubes as a dehydrogenation catalyst for methanol

Applied surface science, 2014-09, Vol.314, p.90-96

2014

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A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster

Structural chemistry, 2017-06, Vol.28 (3), p.735-748

2017

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Chalcogen bonds formed through π-holes: SO3 complexes with nitrogen and phosphorus bases

Molecular physics, 2016-01, Vol.114 (2), p.276-282

2016

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Chalcogen bonds formed through pi -holes: SO sub(3) complexes with nitrogen and phosphorus bases

Molecular physics, 2016-01, Vol.114 (2), p.276-282

2016

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Chalcogen bonds formed through [pi]-holes: SO3 complexes with nitrogen and phosphorus bases

Molecular physics, 2016-01, Vol.114 (2), p.276

2016

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A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullerene

RSC advances, 2016-01, Vol.6 (21), p.17172-17178

2016

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Application of Si-doped graphene as a metal-free catalyst for decomposition of formic acid: A theoretical study

International journal of quantum chemistry, 2015-09, Vol.115 (17), p.1153-1160

2015

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Methylamine adsorption and decomposition on B sub(12)N sub(12) nanocage: A density functional theory study

Surface science, 2014-08, Vol.626, p.44-48

2014

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Adsorption and decomposition of formamide over zigzag (n,0) silicon-carbide nanotubes (n=5–7): Investigation of curvature effects

Surface science, 2015-07, Vol.637-638, p.69-76

2015

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A density functional theory study on adsorption and decomposition of acetic acid over silicon carbide nanotubes

Synthetic metals, 2016-05, Vol.215, p.164-169

2016

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Catalytic decomposition of ammonia over silicon-carbide nanotube: a DFT study

Structural chemistry, 2015-06, Vol.26 (3), p.799-807

2015

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Catalytic dehydrogenation of hydrazine on silicon-carbide nanotubes: A DFT study on the kinetic issue

Surface science, 2015-02, Vol.632, p.118-125

2015

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Cooperative effects between tetrel bond and other σ-hole bond interactions: a comparative investigation

Molecular physics, 2015-12, Vol.113 (23), p.3703-3711

2015

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Cooperative effects between tetrel bond and other [sigma]-hole bond interactions: a comparative investigation

Molecular physics, 2015-12, Vol.113 (23), p.3703

2015

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Hydrogen generation from methylamine using silicon carbide nanotubes as a dehydrogenation catalyst: A density functional theory study

Journal of molecular graphics & modelling, 2015-02, Vol.55, p.41-47

2015

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A theoretical insight into surface reactivity of nitrogen-doped BC3 nanotubes

Physica. E, Low-dimensional systems & nanostructures, 2014-05, Vol.59, p.223-229

2014

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Metal-Free Decomposition of Formic Acid on Pristine and Carbon-Doped Boron Nitride Fullerene: A DFT Study

Journal of cluster science, 2015-03, Vol.26 (2), p.595-608

2015

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Sensing and catalytic decomposition of hydrogen peroxide by silicon carbide nanotubes: A DFT study

International journal of quantum chemistry, 2015-04, Vol.115 (8), p.471-476

2015

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A theoretical study on surface reactivity of fluorinated ( n ,0) and ( n , n ) carbon nanotubes ( n = 3–6)

Canadian journal of chemistry, 2014-04, Vol.92 (4), p.299-304

2014

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A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullereneElectronic supplementary information (ESI) available. See DOI: 10.1039/c5ra25069b

2016-02

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A density functional theory study on the adsorption and decomposition of methanol on B12N12 fullerene-like nanocage

Superlattices and microstructures, 2014-03, Vol.67, p.54-60

2014

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Theoretical study of formamide decomposition pathways over (6,0) silicon-carbide nanotube

Journal of molecular modeling, 2015-04, Vol.21 (4), p.89, Article 89

2015

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Chalcogen bonds formed through π-holes: SO 3 complexes with nitrogen and phosphorus bases

Methylamine adsorption and decomposition on B12N12 nanocage: A density functional theory study

Potential of C-doped boron nitride fullerene as a catalyst for methanol dehydrogenation

A DFT study on the possibility of using boron nitride nanotubes as a dehydrogenation catalyst for methanol

A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster

Chalcogen bonds formed through π-holes: SO3 complexes with nitrogen and phosphorus bases

Chalcogen bonds formed through pi -holes: SO sub(3) complexes with nitrogen and phosphorus bases

Chalcogen bonds formed through [pi]-holes: SO3 complexes with nitrogen and phosphorus bases

A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullerene

Application of Si-doped graphene as a metal-free catalyst for decomposition of formic acid: A theoretical study

Methylamine adsorption and decomposition on B sub(12)N sub(12) nanocage: A density functional theory study

Adsorption and decomposition of formamide over zigzag (n,0) silicon-carbide nanotubes (n=5–7): Investigation of curvature effects

A density functional theory study on adsorption and decomposition of acetic acid over silicon carbide nanotubes

Catalytic decomposition of ammonia over silicon-carbide nanotube: a DFT study

Catalytic dehydrogenation of hydrazine on silicon-carbide nanotubes: A DFT study on the kinetic issue

Cooperative effects between tetrel bond and other σ-hole bond interactions: a comparative investigation

Cooperative effects between tetrel bond and other [sigma]-hole bond interactions: a comparative investigation

Hydrogen generation from methylamine using silicon carbide nanotubes as a dehydrogenation catalyst: A density functional theory study

A theoretical insight into surface reactivity of nitrogen-doped BC3 nanotubes

Metal-Free Decomposition of Formic Acid on Pristine and Carbon-Doped Boron Nitride Fullerene: A DFT Study

Sensing and catalytic decomposition of hydrogen peroxide by silicon carbide nanotubes: A DFT study

A theoretical study on surface reactivity of fluorinated ( n ,0) and ( n , n ) carbon nanotubes ( n = 3–6)

A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullereneElectronic supplementary information (ESI) available. See DOI: 10.1039/c5ra25069b

A density functional theory study on the adsorption and decomposition of methanol on B12N12 fullerene-like nanocage

Theoretical study of formamide decomposition pathways over (6,0) silicon-carbide nanotube

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