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Publications in Theoretical Chemistry

Vibrational Probe of the Origin of Singlet Exciton Fission in TIPS-pentacene Solutions

Journal of Chemical Physics

Theoretical Chemistry

English

Kirkwood-Buff Analysis of Aqueous N-Methylacetamide and Acetamide Solutions Modeled by the CHARMM Additive and Drude Polarizable Force Fields

Journal of Chemical Physics

Theoretical Chemistry

English

Growth of Polyaromatic Molecules via Ion-Molecule Reactions: An Experimental and Theoretical Mechanistic Study

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Computing the Helmholtz Capacitance of Charged Insulator-Electrolyte Interfaces From the Supercell Polarization

Journal of Chemical Physics

Theoretical Chemistry

English

Theoretical Studies of the Tunneling Splitting of Malonaldehyde Using the Multiconfiguration Time-Dependent Hartree Approach

Journal of Chemical Physics

Theoretical Chemistry

English

Should Thermostatted Ring Polymer Molecular Dynamics Be Used to Calculate Thermal Reaction Rates?

Journal of Chemical Physics

Theoretical Chemistry

English

A Dynamical (E,2e) Investigation of the Structurally Related Cyclic Ethers Tetrahydrofuran, Tetrahydropyran, and 1,4-Dioxane

Journal of Chemical Physics

Theoretical Chemistry

English

Temperature Dependence of the Photodissociation of CO2 From High Vibrational Levels: 205-230 Nm Imaging Studies of CO(X1Σ+) and O(3P, 1D) Products

Journal of Chemical Physics

Theoretical Chemistry

English

Electrostatic Correlations in Inhomogeneous Charged Fluids Beyond Loop Expansion

Journal of Chemical Physics

Theoretical Chemistry

English

Erratum: “Phase Diagram of Mixtures of Colloids and Polymers in the Thermal Crossover From Good to Θ Solvent” [J. Chem. Phys. 141, 024902 (2014)]

Journal of Chemical Physics

Theoretical Chemistry

English