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Publications in Theoretical Chemistry

Lysine-Based Amino-Functionalized Lipids for Gene Transfection: The Influence of Chain Composition on 2D Properties

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Spreading Out Spin Density in Polyphenalenyl Radicals

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

An Extrapolation Method for the Efficient Calculation of Molecular Response Properties Within Born–Oppenheimer Molecular Dynamics

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Modifying Bis(Triflimide) Ionic Liquids by Dissolving Early Transition Metal Carbamates

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Photoinduced Water Splitting via Benzoquinone and Semiquinone Sensitisation

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Light-Assisted Dynamic Titration: From Theory to an Experimental Protocol

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Increased Thermal Stability of Activated N2 Adsorbed on K-Promoted Ni{110}

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Conformational Equilibrium and Internal Dynamics in the Iso-Propanol–water Dimer

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Some Novel Molecular Frameworks Involving Representative Elements

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Magnetic Properties of Stoichiometric and Defective Co9S8

Physical Chemistry Chemical Physics

Theoretical Chemistry

English