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Publications in Theoretical Chemistry

CCSD-PCM: Improving Upon the Reference Reaction Field Approximation at No Cost

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Relaxation Pathway Confinement in Glassy Dynamics

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Stability and Dissociation Dynamics of N2++ Ions Following Core Ionization Studied by an Auger-Electron–photoion Coincidence Method

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

The Electrostatics of Solvent and Membrane Interfaces and the Role of Electronic Polarizability

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Lithium Ion Diffusion in Li Β-Alumina Single Crystals Measured by Pulsed Field Gradient NMR Spectroscopy

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Hydrogen Confined in Single-Wall Carbon Nanotubes: Anisotropy Effects on Ro-Vibrational Quantum Levels

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

The Role of Rydberg and Continuum Levels in Computing High Harmonic Generation Spectra of the Hydrogen Atom Using Time-Dependent Configuration Interaction

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Insights on Cholinium- And Piperazinium-Based Ionic Liquids Under External Electric Fields: A Molecular Dynamics Study

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: Adiabatic Quantum Trajectory Capture for Cold and Ultra-Cold Chemical Reactions

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Local Structure of Temperature and pH-sensitive Colloidal Microgels

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

CCSD-PCM: Improving Upon the Reference Reaction Field Approximation at No Cost

Relaxation Pathway Confinement in Glassy Dynamics

Stability and Dissociation Dynamics of N2++ Ions Following Core Ionization Studied by an Auger-Electron–photoion Coincidence Method

The Electrostatics of Solvent and Membrane Interfaces and the Role of Electronic Polarizability

Lithium Ion Diffusion in Li Β-Alumina Single Crystals Measured by Pulsed Field Gradient NMR Spectroscopy

Hydrogen Confined in Single-Wall Carbon Nanotubes: Anisotropy Effects on Ro-Vibrational Quantum Levels

The Role of Rydberg and Continuum Levels in Computing High Harmonic Generation Spectra of the Hydrogen Atom Using Time-Dependent Configuration Interaction

Insights on Cholinium- And Piperazinium-Based Ionic Liquids Under External Electric Fields: A Molecular Dynamics Study

Communication: Adiabatic Quantum Trajectory Capture for Cold and Ultra-Cold Chemical Reactions

Local Structure of Temperature and pH-sensitive Colloidal Microgels