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4D potential energy surface of NCCN–H2 collision: Rotational dynamics by p-H2 and o-H2 at interstellar temperatures

The Journal of chemical physics, 2023-08, Vol.159 (7)

2023

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Environmentally Friendly, Co-catalyst-Free Chemical Fixation of CO2 at Mild Conditions Using Dual-Walled Nitrogen-Rich Three-Dimensional Porous Metal–Organic Frameworks

Inorganic chemistry, 2019-03, Vol.58 (6), p.3925-3936

2019

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First-Principles Design and Investigation of Siligraphene as a Potential Anode Material for Na-Ion Batteries

Journal of physical chemistry. C, 2020-05, Vol.124 (21), p.11293-11300

2020

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First-principles study of a 2-dimensional C-silicyne monolayer as a promising anode in Na/K ion secondary batteries

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (2), p.11755-11763

2021

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Si doped T-graphene: a 2D lattice as an anode electrode in Na ion secondary batteries

New journal of chemistry, 2022-05, Vol.46 (2), p.9718-9726

2022

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Rational Design of a Bifunctional, Two‐Fold Interpenetrated ZnII‐Metal–Organic Framework for Selective Adsorption of CO2 and Efficient Aqueous Phase Sensing of 2,4,6‐Trinitrophenol

Chemistry : a European journal, 2017-11, Vol.23 (64), p.16204-16212

2017

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Rotational dynamics of CNCN by p-H2 and o-H2 collision at interstellar temperatures

The Journal of chemical physics, 2024-08, Vol.161 (6)

2024

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Photoredox Catalysis by 21‐Thiaporphyrins: A Green and Efficient Approach for C−N Borylation and C−H Arylation

Chemistry : a European journal, 2024-08, Vol.30 (46), p.e202401623-n/a

2024

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PO+−He collision: ab initio potential energy surface and inelastic rotational rate coefficients

Monthly notices of the Royal Astronomical Society, 2023-06, Vol.523 (4), p.5869-5875

2023

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Organocatalytic Activation of Donor–Acceptor Cyclopropanes: A Tandem (3 + 3)-Cycloaddition/Aryl Migration toward the Synthesis of Enantioenriched Tetrahydropyridazines

Organic letters, 2023-07, Vol.25 (29), p.5470-5475

2023

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Boron-pnictogen monolayers with a negative Poisson's ratio and excellent band edge positions for photocatalytic water splitting

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (18), p.12934-12942

2023

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First-principles study of two-dimensional C-silicyne nanosheet as a promising anode material for rechargeable Li-ion batteries

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (34), p.2274-2281

2022

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Electronic structure calculations and quantum dynamics of rotational deexcitation of CNNC by He

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (5), p.2785-2793

2022

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Substituted 2D Janus WSSe monolayers as efficient nanosensor toward toxic gases

Journal of applied physics, 2021-07, Vol.130 (1)

2021

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Hydrogen trapping potential of Ca decorated metal-graphyne framework

Energy (Oxford), 2020-05, Vol.199, p.117453, Article 117453

2020

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An ab initio study of reversible dihydrogen adsorption in metal decorated γ-graphyne

Journal of applied physics, 2019-11, Vol.126 (17)

2019

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Efficient hydrogenolysis of aryl ethers over Ce-MOF supported Pd NPs under mild conditions: mechanistic insight using density functional theoretical calculations

Catalysis science & technology, 2020-10, Vol.1 (2), p.6892-691

2020

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Signatures of non-trivial band topology in LaAs/LaBi heterostructure

Journal of physics. Condensed matter, 2020-09, Vol.32 (39), p.395703

2020

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Improving the hydrodeoxygenation activity of vanillin and its homologous compounds by employing MoO3-incorporated Co-BTC MOF-derived MoCoOx@C

Dalton transactions : an international journal of inorganic chemistry, 2023-03, Vol.52 (10), p.3111-3126

2023

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Pyrene-Based Nanoporous Covalent Organic Framework for Carboxylation of C–H Bonds with CO2 and Value-Added 2‑Oxazolidinones Synthesis under Ambient Conditions

ACS applied materials & interfaces, 2024-02, Vol.16 (5), p.5857-5868

2024

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Quantum dynamics study of rotational transitions of NCCN induced by He collision

The Journal of chemical physics, 2018-11, Vol.149 (17), p.174312-174312

2018

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Hydrogen Trapping Efficiency of Li-Decorated Metal–Carbyne Framework: A First-Principles Study

Journal of physical chemistry. C, 2019-06, Vol.123 (24), p.15046-15052

2019

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Fundamental Study of Reversible Hydrogen Storage in Titanium- and Lithium-Functionalized Calix[4]arene

Journal of physical chemistry. C, 2017-04, Vol.121 (16), p.8703-8710

2017

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Hydrogen sorption efficiency of titanium decorated calix[4]pyrroles

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (48), p.32566-32574

2017

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Furtherance of the material-based hydrogen storage based on theory and experiments

International journal of hydrogen energy, 2023-04, Vol.48 (34), p.12767-12795

2023

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4D potential energy surface of NCCN–H2 collision: Rotational dynamics by p-H2 and o-H2 at interstellar temperatures

Environmentally Friendly, Co-catalyst-Free Chemical Fixation of CO2 at Mild Conditions Using Dual-Walled Nitrogen-Rich Three-Dimensional Porous Metal–Organic Frameworks

First-Principles Design and Investigation of Siligraphene as a Potential Anode Material for Na-Ion Batteries

First-principles study of a 2-dimensional C-silicyne monolayer as a promising anode in Na/K ion secondary batteries

Si doped T-graphene: a 2D lattice as an anode electrode in Na ion secondary batteries

Rational Design of a Bifunctional, Two‐Fold Interpenetrated ZnII‐Metal–Organic Framework for Selective Adsorption of CO2 and Efficient Aqueous Phase Sensing of 2,4,6‐Trinitrophenol

Rotational dynamics of CNCN by p-H2 and o-H2 collision at interstellar temperatures

Photoredox Catalysis by 21‐Thiaporphyrins: A Green and Efficient Approach for C−N Borylation and C−H Arylation

PO+−He collision: ab initio potential energy surface and inelastic rotational rate coefficients

Organocatalytic Activation of Donor–Acceptor Cyclopropanes: A Tandem (3 + 3)-Cycloaddition/Aryl Migration toward the Synthesis of Enantioenriched Tetrahydropyridazines

Boron-pnictogen monolayers with a negative Poisson's ratio and excellent band edge positions for photocatalytic water splitting

First-principles study of two-dimensional C-silicyne nanosheet as a promising anode material for rechargeable Li-ion batteries

Electronic structure calculations and quantum dynamics of rotational deexcitation of CNNC by He

Substituted 2D Janus WSSe monolayers as efficient nanosensor toward toxic gases

Hydrogen trapping potential of Ca decorated metal-graphyne framework

An ab initio study of reversible dihydrogen adsorption in metal decorated γ-graphyne

Efficient hydrogenolysis of aryl ethers over Ce-MOF supported Pd NPs under mild conditions: mechanistic insight using density functional theoretical calculations

Signatures of non-trivial band topology in LaAs/LaBi heterostructure

Improving the hydrodeoxygenation activity of vanillin and its homologous compounds by employing MoO3-incorporated Co-BTC MOF-derived MoCoOx@C

Pyrene-Based Nanoporous Covalent Organic Framework for Carboxylation of C–H Bonds with CO2 and Value-Added 2‑Oxazolidinones Synthesis under Ambient Conditions

Quantum dynamics study of rotational transitions of NCCN induced by He collision

Hydrogen Trapping Efficiency of Li-Decorated Metal–Carbyne Framework: A First-Principles Study

Fundamental Study of Reversible Hydrogen Storage in Titanium- and Lithium-Functionalized Calix[4]arene

Hydrogen sorption efficiency of titanium decorated calix[4]pyrroles

Furtherance of the material-based hydrogen storage based on theory and experiments

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