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Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity

The journal of physical chemistry letters, 2020-05, Vol.11 (9), p.3501-3506

2020

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Structures and Phase Transition of a MoS2 Monolayer

Journal of physical chemistry. C, 2014-01, Vol.118 (3), p.1515-1522

2014

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Native point defects in few-layer phosphorene

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (4), Article 045433

2015

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The Intrinsic Ferromagnetism in a MnO2 Monolayer

The journal of physical chemistry letters, 2013-10, Vol.4 (20), p.3382-3386

2013

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Large second harmonic generation in a penta-CdO2 sheet exfoliated from its bulk phase

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-01, Vol.11 (1), p.167-177

2023

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Ferromagnetism in Semihydrogenated Graphene Sheet

Nano letters, 2009-11, Vol.9 (11), p.3867-3870

2009

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Can interaction with informal urban green space reduce depression levels? An analysis of potted street gardens in Tangier, Morocco

Public health (London), 2020-09, Vol.186, p.83-86

2020

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CO Oxidation Prefers the Eley–Rideal or Langmuir–Hinshelwood Pathway: Monolayer vs Thin Film of SiC

ACS applied materials & interfaces, 2016-03, Vol.8 (8), p.5290-5299

2016

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Role of Methane as a Second Guest Component in Thermodynamic Stability and Isomer Selectivity of Butane Clathrate Hydrates

Journal of physical chemistry. C, 2020-08, Vol.124 (34), p.18474-18481

2020

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Stability and properties of 2D porous nanosheets based on tetraoxa[8]circulene analogues

Nanoscale, 2014-12, Vol.6 (24), p.14962-1497

2014

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Hysteretic current–voltage characteristics and resistance switching at an epitaxial oxide Schottky junction SrRuO3∕SrTi0.99Nb0.01O3

Applied physics letters, 2005-01, Vol.86 (1)

2005

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Computational study of van der Waals interaction at the sub‐nanometer scale and its influence on the molecular behavior under confinement conditions in graphene‐ 2D h‐BN heterostructure

International journal of quantum chemistry, 2023-09, Vol.123 (21)

2023

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Low thermal conductivity of peanut-shaped carbon nanotube and its insensitive response to uniaxial strain

Nanotechnology, 2020-03, Vol.31 (11), p.115701-115701

2020

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Role of Interlayer Coupling on the Evolution of Band Edges in Few-Layer Phosphorene

The journal of physical chemistry letters, 2015-12, Vol.6 (24), p.4876-4883

2015

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Self-healing monovacancy in low-buckled silicene studied by first-principles calculations

Physical review. B, Condensed matter and materials physics, 2014-07, Vol.90 (4), Article 045425

2014

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18 and 12 – Member carbon rings (cyclo[n]carbons) – A density functional study

Materials science & engineering. B, Solid-state materials for advanced technology, 2021-01, Vol.263, p.114895, Article 114895

2021

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A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril

Journal of inclusion phenomena and macrocyclic chemistry, 2021-08, Vol.100 (3-4), p.217-231

2021

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A theoretical exploration of the intermolecular interactions between resveratrol and water: a DFT and AIM analysis

Journal of molecular modeling, 2019-03, Vol.25 (3), p.56-11, Article 56

2019

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Activation of CO and CO2 on homonuclear boron bonds of fullerene-like BN cages: first principles study

Scientific reports, 2015-12, Vol.5 (1), p.17460-17460, Article 17460

2015

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Interaction of H, H2, and MgH2 With Graphene and Possible Application to Hydrogen Storage—A Density Functional Computational Investigation

International journal of quantum chemistry, 2024-08, Vol.124 (16), p.n/a

2024

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Prediction and analysis of the cathode catalyst layer performance of proton exchange membrane fuel cells using artificial neural network and statistical methods

Journal of power sources, 2011-04, Vol.196 (8), p.3750-3756

2011

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Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: an experimental and theoretical study

Chemical communications (Cambridge, England), 2015-01, Vol.51 (73), p.13918-13921

2015

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Origin of anomalous lattice expansion in oxide nanoparticles

Physical review letters, 2000-10, Vol.85 (16), p.3440-3443

2000

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Catalytic Properties of Near-Surface Alloy of Transition Metal in Aluminum: A Density Functional Theory Study of Structural and Electronic Properties

Journal of physical chemistry. C, 2013-11, Vol.117 (47), p.25077-25089

2013

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First principles based design and experimental evidence for a ZnO-based ferromagnet at room temperature

Physical review letters, 2005-05, Vol.94 (18), p.187204-187204, Article 187204

2005

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Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity

Structures and Phase Transition of a MoS2 Monolayer

Native point defects in few-layer phosphorene

The Intrinsic Ferromagnetism in a MnO2 Monolayer

Large second harmonic generation in a penta-CdO2 sheet exfoliated from its bulk phase

Ferromagnetism in Semihydrogenated Graphene Sheet

Can interaction with informal urban green space reduce depression levels? An analysis of potted street gardens in Tangier, Morocco

CO Oxidation Prefers the Eley–Rideal or Langmuir–Hinshelwood Pathway: Monolayer vs Thin Film of SiC

Role of Methane as a Second Guest Component in Thermodynamic Stability and Isomer Selectivity of Butane Clathrate Hydrates

Stability and properties of 2D porous nanosheets based on tetraoxa[8]circulene analogues

Hysteretic current–voltage characteristics and resistance switching at an epitaxial oxide Schottky junction SrRuO3∕SrTi0.99Nb0.01O3

Computational study of van der Waals interaction at the sub‐nanometer scale and its influence on the molecular behavior under confinement conditions in graphene‐ 2D h‐BN heterostructure

Low thermal conductivity of peanut-shaped carbon nanotube and its insensitive response to uniaxial strain

Role of Interlayer Coupling on the Evolution of Band Edges in Few-Layer Phosphorene

Self-healing monovacancy in low-buckled silicene studied by first-principles calculations

18 and 12 – Member carbon rings (cyclo[n]carbons) – A density functional study

A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril

A theoretical exploration of the intermolecular interactions between resveratrol and water: a DFT and AIM analysis

Activation of CO and CO2 on homonuclear boron bonds of fullerene-like BN cages: first principles study

Interaction of H, H2, and MgH2 With Graphene and Possible Application to Hydrogen Storage—A Density Functional Computational Investigation

Prediction and analysis of the cathode catalyst layer performance of proton exchange membrane fuel cells using artificial neural network and statistical methods

Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: an experimental and theoretical study

Origin of anomalous lattice expansion in oxide nanoparticles

Catalytic Properties of Near-Surface Alloy of Transition Metal in Aluminum: A Density Functional Theory Study of Structural and Electronic Properties

First principles based design and experimental evidence for a ZnO-based ferromagnet at room temperature

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