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Publications in Theoretical Chemistry

The Co-Operative Performance of a Hydrated Salt Assisted Sponge Like P(vdf-Hfp) Piezoelectric Generator: An Effective Piezoelectric Based Energy Harvester

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Influence of Heteroatoms on the Aromatic Character and the Current Pathways of B2n2-Dibenzo[a,e]pentalenes

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Highly-Efficient Charge Separation and Polaron Delocalization in Polymer–fullerene Bulk-Heterojunctions: A Comparative Multi-Frequency EPR and DFT Study

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Quantification of Surface Species Present on a Nickel/Alumina Methane Reforming Catalyst

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Thermal Diffusivity Measured Using a Single Plasmonic Nanoparticle

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Effect of Cationic Molecules on the Oxygen Reduction Reaction on Fuel Cell Grade Pt/C (20 Wt%) Catalyst in Potassium Hydroxide (Aq, 1 Mol Dm−3)

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Core Electron Binding Energies of Adsorbates on Cu(111) From First-Principles Calculations

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Near-Infrared Photocatalytic Activity Induced by Intrinsic Defects in Bi2MO6(M = W, Mo)

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Role of Surface Oxygenated-Species and Adsorbed Hydrogen in the Oxygen Reduction Reaction (ORR) Mechanism and Product Selectivity on Pd-Based Catalysts in Acid Media

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

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Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

The Co-Operative Performance of a Hydrated Salt Assisted Sponge Like P(vdf-Hfp) Piezoelectric Generator: An Effective Piezoelectric Based Energy Harvester

The Influence of Heteroatoms on the Aromatic Character and the Current Pathways of B2n2-Dibenzo[a,e]pentalenes

Highly-Efficient Charge Separation and Polaron Delocalization in Polymer–fullerene Bulk-Heterojunctions: A Comparative Multi-Frequency EPR and DFT Study

The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling

Quantification of Surface Species Present on a Nickel/Alumina Methane Reforming Catalyst

Thermal Diffusivity Measured Using a Single Plasmonic Nanoparticle

Effect of Cationic Molecules on the Oxygen Reduction Reaction on Fuel Cell Grade Pt/C (20 Wt%) Catalyst in Potassium Hydroxide (Aq, 1 Mol Dm−3)

Core Electron Binding Energies of Adsorbates on Cu(111) From First-Principles Calculations

Near-Infrared Photocatalytic Activity Induced by Intrinsic Defects in Bi2MO6(M = W, Mo)

The Role of Surface Oxygenated-Species and Adsorbed Hydrogen in the Oxygen Reduction Reaction (ORR) Mechanism and Product Selectivity on Pd-Based Catalysts in Acid Media