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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Dianat, Arezoo
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (58/58 displayed)
- 2025MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics
- 2024UNRAVELING THE IMPACT OF NITROGEN DOPED GRAPHENE ON THE SENSING OF VOLATILE ORGANIC COMPOUNDS: A DFT STUDYcitations
- 2024Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates
- 2023Machine learning-enabled graphene-based electronic olfaction sensors and their olfactory performance assessmentcitations
- 2023Workflow for computational characterization of PDMS cross-linked systems
- 2023Functionalization-Induced Local Magnetization in Black Phosphorene
- 2022Toward Coarse-Grained Elasticity of Single-Layer Covalent Organic Frameworkscitations
- 2022Electronic and thermal signatures of phosphorene grain boundaries under uniaxial straincitations
- 2022Combination of Knoevenagel Polycondensation and Water-Assisted Dynamic Michael-Addition-Elimination for the Synthesis of Vinylene-Linked 2D Covalent Organic Frameworkscitations
- 2022Combination of Knoevenagel Polycondensation and Water-Assisted Dynamic Michael-Addition-Elimination for the Synthesis of Vinylene-Linked 2D Covalent Organic Frameworkscitations
- 2021Predicting the bulk modulus of single-layer covalent organic frameworks with square-lattice topology from molecular building-block propertiescitations
- 2021Multiscale Modeling Strategy of 2D Covalent Organic Frameworks Confined at an Air–Water Interfacecitations
- 2021An Atomistic Study of the Thermoelectric Signatures of CNT Peapodscitations
- 2020Role of Exchange Interactions in the Magnetic Response and Intermolecular Recognition of Chiral Moleculescitations
- 2020Continuum modelling of structure formation of biosilica patterns in diatomscitations
- 2020A zinc selective oxytocin based biosensorcitations
- 2020Interactions of Long-Chain Polyamines with Silica Studied by Molecular Dynamics Simulations and Solid-State NMR Spectroscopycitations
- 2019Electron Transport through Self-Assembled Monolayers of Tripeptidescitations
- 2019Combined molecular dynamics and phase-field modelling of crack propagation in defective graphenecitations
- 2019Direct Assembly and Metal-Ion Binding Properties of Oxytocin Monolayer on Gold Surfacescitations
- 2019ITO Work Function Tunability by Polarizable Chromophore Monolayerscitations
- 2019Influence of Mesityl and Thiophene Peripheral Substituents on Surface Attachment, Redox Chemistry, and ORR Activity of Molecular Iron Porphyrin Catalysts on Electrodescitations
- 2019Fully sp2‐Carbon‐Linked Crystalline Two‐Dimensional Conjugated Polymers: Insight into 2D Poly(phenylenecyanovinylene) Formation and its Optoelectronic Propertiescitations
- 2018Modeling of the Coadsorption of Chloride and Hydrogen Ions on Copper Electrode Surfacecitations
- 2018DFT study of interaction of additives with Cu(111) surface relevant to Cu electrodepositioncitations
- 2018Polymerization driven monomer passage through monolayer chemical vapour deposition graphenecitations
- 2018Copper electroplating with polyethylene Glycol. Pt.II. Experimental analysis and determination of model parameterscitations
- 2018Enhanced Magnetoresistance in Chiral Molecular Junctionscitations
- 2017Metamorphosis in carbon network: From penta-graphene to biphenylene under uniaxial tensioncitations
- 2017In Situ Electron Driven Carbon Nanopillar-Fullerene Transformation through Cr Atom Mediationcitations
- 2017Copper Induced Conformational Changes of Tripeptide Monolayer Based Impedimetric Biosensorcitations
- 2017First-principles investigation of mechanical properties of silicene, germanene and stanenecitations
- 2017Light-Induced Contraction/Expansion of 1D Photoswitchable Metallopolymer Monitored at the Solid-Liquid Interfacecitations
- 2017In-Situ Stretching Patterned Graphene Nanoribbons in the Transmission Electron Microscopecitations
- 2017A structural insight into mechanical strength of graphene-like carbon and carbon nitride networkscitations
- 2017Copper Electroplating with Polyethylene Glycol I. An Alternative Hysteresis Model without Additive Consumptioncitations
- 2017Multimetallic Hierarchical Aerogels: Shape Engineering of the Building Blocks for Efficient Electrocatalysiscitations
- 2017Enhancement of thermal transport properties of asymmetric Graphene/hBN nanoribbon heterojunctions by substrate engineeringcitations
- 2017Doping of graphene induced by boron/silicon substratecitations
- 2017Molecular and Ionic Dipole Effects on the Electronic Properties of Si-/SiO2-Grafted Alkylamine Monolayerscitations
- 2016Contact-dependent mechanical properties of graphene nanoribbons: an ab initio studycitations
- 2016Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle studycitations
- 2016Atomically Precise Prediction of 2D Self-Assembly of Weakly Bonded Nanostructures: STM Insight into Concentration-Dependent Architecturescitations
- 2016Probing Silica-Biomolecule Interactions by Solid-State NMR and Molecular Dynamics Simulationscitations
- 2016Discrete polygonal supramolecular architectures of isocytosine-based Pt(II) complexes at the solution/graphite interfacecitations
- 2016Mechanical responses of borophene sheets: a first-principles studycitations
- 2016Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigationcitations
- 2015Engineering thermal rectification in MoS2 nanoribbons: a non-equilibrium molecular dynamics studycitations
- 2015Switchable Negative Differential Resistance Induced by Quantum Interference Effects in Porphyrin-based Molecular Junctionscitations
- 2015Interplay between Mechanical and Electronic Degrees of Freedom in pi-Stacked Molecular Junctions: From Single Molecules to Mesoscopic Nanoparticle Networkscitations
- 2015Lateral damage in graphene carved by high energy focused gallium ion beamscitations
- 2015In Situ Observations of Free-Standing Graphene-like Mono- and Bilayer ZnO Membranescitations
- 2014DFT study of reaction processes of methane combustion on PdO(1 0 0)citations
- 2014Effect of Waveform of ac Voltage on the Morphology and Crystallinity of Electrochemically Assembled Platinum Nanowirescitations
- 2014Graphene coatings for the mitigation of electron stimulated desorption and fullerene cap formationcitations
- 2013Effects of Al-doping on the properties of Li-Mn-Ni-O cathode materials for Li-ion batteries: an ab initio studycitations
- 2011The catalytic potential of high-kappa dielectrics for graphene formationcitations
- 2009Dissociative Adsorption of Methane on Surface Oxide Structures of Pd-Pt Alloyscitations
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