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Publications in Theoretical Chemistry

Comparison of Π-Hole Tetrel Bonding With Σ-Hole Halogen Bonds in Complexes of XCN (X = F, Cl, Br, I) and NH3

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Reactivity of the Β-AlF3(100) Surface: Defects, Fluorine Mobility and Catalysis of the CCl2F2 Dismutation Reaction

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Cause for the Low Efficiency of Dye Sensitized Solar Cells With a Combination of Ruthenium Dyes and Cobalt Redox

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Visualizing Reaction and Diffusion in Xanthan Gum Aerosol Particles Exposed to Ozone

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Photodesorption of Water From Rutile(110): Ab Initio Calculation of Five-Dimensional Potential Energy Surfaces of Ground and Excited Electronic States and Wave Packet Studies

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Importance of Polarizability: Comparison of Models of Carbon Disulphide in the Ionic Liquids [C1C1im][NTf2] and [C4C1im][NTf2]

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Correction: Hydrophobic Silane Coating Films for the Inhibition of Water Ingress Into the Nanometer Pore of Calcium Silicate Hydrate Gels

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

The Role of the Ionic Liquid C6C1ImTFSI in the Sol–gel Synthesis of Silica Studied Using in Situ SAXS and Raman Spectroscopy

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Molecular Dynamics Simulations of the Water Adsorption Around Malonic Acid Aerosol Models

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Short-Range Ion Dynamics in Methylammonium Lead Iodide by Multinuclear Solid State NMR and 127I NQR

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

Comparison of Π-Hole Tetrel Bonding With Σ-Hole Halogen Bonds in Complexes of XCN (X = F, Cl, Br, I) and NH3

Reactivity of the Β-AlF3(100) Surface: Defects, Fluorine Mobility and Catalysis of the CCl2F2 Dismutation Reaction

The Cause for the Low Efficiency of Dye Sensitized Solar Cells With a Combination of Ruthenium Dyes and Cobalt Redox

Visualizing Reaction and Diffusion in Xanthan Gum Aerosol Particles Exposed to Ozone

Photodesorption of Water From Rutile(110): Ab Initio Calculation of Five-Dimensional Potential Energy Surfaces of Ground and Excited Electronic States and Wave Packet Studies

The Importance of Polarizability: Comparison of Models of Carbon Disulphide in the Ionic Liquids [C1C1im][NTf2] and [C4C1im][NTf2]

Correction: Hydrophobic Silane Coating Films for the Inhibition of Water Ingress Into the Nanometer Pore of Calcium Silicate Hydrate Gels

The Role of the Ionic Liquid C6C1ImTFSI in the Sol–gel Synthesis of Silica Studied Using in Situ SAXS and Raman Spectroscopy

Molecular Dynamics Simulations of the Water Adsorption Around Malonic Acid Aerosol Models

Short-Range Ion Dynamics in Methylammonium Lead Iodide by Multinuclear Solid State NMR and 127I NQR