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Publications in Theoretical Chemistry

Temperature-Dependent Solubilities and Mean Ionic Activity Coefficients of Alkali Halides in Water From Molecular Dynamics Simulations

Journal of Chemical Physics

Theoretical Chemistry

English

Classical Dynamics of State-Resolved Hyperthermal O(3P) + H2O(1A1) Collisions

Journal of Chemical Physics

Theoretical Chemistry

English

Deciphering Complex Metabolite Mixtures by Unsupervised and Supervised Substructure Discovery and Semi-Automated Annotation From MS/MS Spectra

Faraday Discussions

Theoretical Chemistry

English

Proper and Improper Zero Energy Modes in Hartree-Fock Theory and Their Relevance for Symmetry Breaking and Restoration

Journal of Chemical Physics

Theoretical Chemistry

English

Properties of Aqueous Nitrate and Nitrite From X-Ray Absorption Spectroscopy

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: From Rods to Helices: Evidence of a Screw-Like Nematic Phase

Journal of Chemical Physics

Theoretical Chemistry

English

Note: Activity Coefficients and Solubilities for the NaCl/ϵ Force Field

Journal of Chemical Physics

Theoretical Chemistry

English

Electronically Excited and Ionized States of the CH2CH2OH Radical: A Theoretical Study

Journal of Chemical Physics

Theoretical Chemistry

English

How Strongly Do Hydrogen and Water Molecules Stick to Carbon Nanomaterials?

Journal of Chemical Physics

Theoretical Chemistry

English

Interference Enhanced Thermoelectricity in Quinoid Type Structures

Journal of Chemical Physics

Theoretical Chemistry

English