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Publications in Theoretical Chemistry

Pressure-Induced Transformations in Computer Simulations of Glassy Water

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: Equivalence Between Symmetric and Antisymmetric Stretching Modes of NH3 in Promoting H + NH3 → H2 + NH2 Reaction

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: Extension of a Universal Explicit Electron Correlation Correction to General Complete Active Spaces

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Liquid 1-Propanol Studied by Neutron Scattering, Near-Infrared, and Dielectric Spectroscopy

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Computing Energy Levels of CH4, CHD3, CH3D, and CH3F With a Direct Product Basis and Coordinates Based on the Methyl Subsystem

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Diffusion and Reaction Pathways of Water Near Fully Hydrated TiO2 Surfaces From Ab Initio Molecular Dynamics

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: Explicitly-Correlated Second-Order Correction to the Correlation Energy in the Random-Phase Approximation

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Erratum: “Curl Flux, Coherence, and Population Landscape of Molecular Systems: Nonequilibrium Quantum Steady State, Energy (Charge) Transport, and Thermodynamics” [J. Chem. Phys. 140, 245101 (2014)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Associative Desorption of Hydrogen Isotopologues From Copper Surfaces: Characterization of Two Reaction Mechanisms

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Transition Voltages of Vacuum-Spaced and Molecular Junctions With Ag and Pt Electrodes

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

Pressure-Induced Transformations in Computer Simulations of Glassy Water

Communication: Equivalence Between Symmetric and Antisymmetric Stretching Modes of NH3 in Promoting H + NH3 → H2 + NH2 Reaction

Communication: Extension of a Universal Explicit Electron Correlation Correction to General Complete Active Spaces

Liquid 1-Propanol Studied by Neutron Scattering, Near-Infrared, and Dielectric Spectroscopy

Computing Energy Levels of CH4, CHD3, CH3D, and CH3F With a Direct Product Basis and Coordinates Based on the Methyl Subsystem

Diffusion and Reaction Pathways of Water Near Fully Hydrated TiO2 Surfaces From Ab Initio Molecular Dynamics

Communication: Explicitly-Correlated Second-Order Correction to the Correlation Energy in the Random-Phase Approximation

Erratum: “Curl Flux, Coherence, and Population Landscape of Molecular Systems: Nonequilibrium Quantum Steady State, Energy (Charge) Transport, and Thermodynamics” [J. Chem. Phys. 140, 245101 (2014)]

Associative Desorption of Hydrogen Isotopologues From Copper Surfaces: Characterization of Two Reaction Mechanisms

Transition Voltages of Vacuum-Spaced and Molecular Junctions With Ag and Pt Electrodes