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Publications in Theoretical Chemistry

Publisher's Note: “Coriolis Coupling as a Source of Non-RRKM Effects in Triatomic Near-Symmetric Top Molecules: Diffusive Intramolecular Energy Exchange Between Rotational and Vibrational Degrees of Freedom” [J. Chem. Phys. 132, 224304 (2010)]

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Relativistic Theory of Electron-Nucleus-Radiation Coupled Dynamics in Molecules: Wavepacket Approach

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Ultrafast Solvation Response in Room Temperature Ionic Liquids: Possible Origin and Importance of the Collective and the Nearest Neighbour Solvent Modes

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Complex Micelles From the Self-Assembly of Amphiphilic Triblock Copolymers in Selective Solvents

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Seniority Zero Pair Coupled Cluster Doubles Theory

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

A Hybrid Perturbed-Chain SAFT Density Functional Theory for Representing Fluid Behavior in Nanopores

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Strategies to Enhance the Excitation Energy-Transfer Efficiency in a Light-Harvesting System Using the Intra-Molecular Charge Transfer Character of Carotenoids

Faraday Discussions

Theoretical Chemistry

Physical

2017

English

First Principles Calculations of Optical Properties for Oxygen Vacancies in Binary Metal Oxides

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

The Microscopic Features of Heterogeneous Ice Nucleation May Affect the Macroscopic Morphology of Atmospheric Ice Crystals

Faraday Discussions

Theoretical Chemistry

Physical

2013

English

Correcting for Dispersion Interaction and Beyond in Density Functional Theory Through Force Matching

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Amanote Research

Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Publisher's Note: “Coriolis Coupling as a Source of Non-RRKM Effects in Triatomic Near-Symmetric Top Molecules: Diffusive Intramolecular Energy Exchange Between Rotational and Vibrational Degrees of Freedom” [J. Chem. Phys. 132, 224304 (2010)]

Relativistic Theory of Electron-Nucleus-Radiation Coupled Dynamics in Molecules: Wavepacket Approach

Ultrafast Solvation Response in Room Temperature Ionic Liquids: Possible Origin and Importance of the Collective and the Nearest Neighbour Solvent Modes

Complex Micelles From the Self-Assembly of Amphiphilic Triblock Copolymers in Selective Solvents

Seniority Zero Pair Coupled Cluster Doubles Theory

A Hybrid Perturbed-Chain SAFT Density Functional Theory for Representing Fluid Behavior in Nanopores

Strategies to Enhance the Excitation Energy-Transfer Efficiency in a Light-Harvesting System Using the Intra-Molecular Charge Transfer Character of Carotenoids

First Principles Calculations of Optical Properties for Oxygen Vacancies in Binary Metal Oxides

The Microscopic Features of Heterogeneous Ice Nucleation May Affect the Macroscopic Morphology of Atmospheric Ice Crystals

Correcting for Dispersion Interaction and Beyond in Density Functional Theory Through Force Matching