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Publications in Theoretical Chemistry

Predicting Solvation Free Energies and Thermodynamics in Polar Solvents and Mixtures Using a Solvation-Layer Interface Condition

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Publisher’s Note: “Reactive Scattering Calculations for 87Rb+87RbHe→Rb2(3Σu+,v)+He From Ultralow to Intermediate Energies” [J. Chem. Phys. 142, 164304 (2015)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Dynamics of Gradient Formation by Intracellular Shuttling

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

The Effect of CO2 Contamination in Rechargeable Non-Aqueous Sodium–air Batteries

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Comparisons of 2D IR Measured Spectral Diffusion in Rotating Frames Using Pulse Shaping and in the Stationary Frame Using the Standard Method

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Theory and Simulation of Anisotropic Pair Correlations in Ferrofluids in Magnetic Fields

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Convergence of the Multipole Expansion for 1,2 Coulomb Interactions: The Modified Multipole Shifting Algorithm

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Ultrafast Photodynamics of Pyrazine in the Vacuum Ultraviolet Region Studied by Time-Resolved Photoelectron Imaging Using 7.8-eV Pulses

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Perspective: Polarizable Continuum Models for Quantum-Mechanical Descriptions

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Ferrocene Analogues of Sandwich B12·Cr·B12: A Theoretical Study

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

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Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Predicting Solvation Free Energies and Thermodynamics in Polar Solvents and Mixtures Using a Solvation-Layer Interface Condition

Publisher’s Note: “Reactive Scattering Calculations for 87Rb+87RbHe→Rb2(3Σu+,v)+He From Ultralow to Intermediate Energies” [J. Chem. Phys. 142, 164304 (2015)]

Dynamics of Gradient Formation by Intracellular Shuttling

The Effect of CO2 Contamination in Rechargeable Non-Aqueous Sodium–air Batteries

Comparisons of 2D IR Measured Spectral Diffusion in Rotating Frames Using Pulse Shaping and in the Stationary Frame Using the Standard Method

Theory and Simulation of Anisotropic Pair Correlations in Ferrofluids in Magnetic Fields

Convergence of the Multipole Expansion for 1,2 Coulomb Interactions: The Modified Multipole Shifting Algorithm

Ultrafast Photodynamics of Pyrazine in the Vacuum Ultraviolet Region Studied by Time-Resolved Photoelectron Imaging Using 7.8-eV Pulses

Perspective: Polarizable Continuum Models for Quantum-Mechanical Descriptions

Ferrocene Analogues of Sandwich B12·Cr·B12: A Theoretical Study