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Publications in Theoretical Chemistry

Electron Transfer Beyond the Static Picture: A TDDFT/TD-ZINDO Study of a Pentacene Dimer

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Adsorption of Dysprosium on the Graphite (0001) Surface: Nucleation and Growth at 300 K

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: On the Origin of the Non-Arrhenius Behavior in Water Reorientation Dynamics

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Publisher’s Note: “Comment on ‘Preserving the Boltzmann Ensemble in Replica-Exchange Molecular Dynamics’ [J. Chem. Phys. 129, 164112 (2008)]” [J. Chem. Phys. 132, 127101 (2010)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Fast Semistochastic Heat-Bath Configuration Interaction

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Communication: The Distinguishable Cluster Approximation

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Microscopic Observation of the Segmental Orientation Autocorrelation Function for Entangled and Constrained Polymer Chains

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

A One-Electron Model for the Aqueous Electron That Includes Many-Body Electron-Water Polarization: Bulk Equilibrium Structure, Vertical Electron Binding Energy, and Optical Absorption Spectrum

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Doping Hepta-Alanine With Tryptophan: A Theoretical Study of Its Effect on the Electrical Conductance of Peptide-Based Single-Molecule Junctions

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Cluster Formation of Network-Modifier Cations in Cesium Silicate Glasses

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

Electron Transfer Beyond the Static Picture: A TDDFT/TD-ZINDO Study of a Pentacene Dimer

Adsorption of Dysprosium on the Graphite (0001) Surface: Nucleation and Growth at 300 K

Communication: On the Origin of the Non-Arrhenius Behavior in Water Reorientation Dynamics

Publisher’s Note: “Comment on ‘Preserving the Boltzmann Ensemble in Replica-Exchange Molecular Dynamics’ [J. Chem. Phys. 129, 164112 (2008)]” [J. Chem. Phys. 132, 127101 (2010)]

Fast Semistochastic Heat-Bath Configuration Interaction

Communication: The Distinguishable Cluster Approximation

Microscopic Observation of the Segmental Orientation Autocorrelation Function for Entangled and Constrained Polymer Chains

A One-Electron Model for the Aqueous Electron That Includes Many-Body Electron-Water Polarization: Bulk Equilibrium Structure, Vertical Electron Binding Energy, and Optical Absorption Spectrum

Doping Hepta-Alanine With Tryptophan: A Theoretical Study of Its Effect on the Electrical Conductance of Peptide-Based Single-Molecule Junctions

Cluster Formation of Network-Modifier Cations in Cesium Silicate Glasses