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Publications in Theoretical Chemistry

Implementation of the CCSD-PCM Linear Response Function for Frequency Dependent Properties in Solution: Application to Polarizability and Specific Rotation

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

The Relaxation Matrix for Symmetric Tops With Inversion Symmetry. I. Effects of Line Coupling on Self-Broadened Ν1 and Pure Rotational Bands of NH3

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Effect of Glycerol and Dimethyl Sulfoxide on the Phase Behavior of Lysozyme: Theory and Experiments

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Charge-Leveling and Proper Treatment of Long-Range Electrostatics in All-Atom Molecular Dynamics at Constant pH

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Grafted Polymer Chains Suppress Nanoparticle Diffusion in Athermal Polymer Melts

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Dynamical Cage Behaviour and Hydrogen Migration in Hydrogen and Hydrogen-Tetrahydrofuran Clathrate Hydrates

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Obtaining Molecular Orientation From Second Harmonic and Sum Frequency Scattering Experiments in Water: Angular Distribution and Polarization Dependence

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Comparing Steady State Photothermalization Dynamics in Copper and Gold Nanostructures

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Pathways for Diffusion in the Potential Energy Landscape of the Network Glass Former SiO2

Journal of Chemical Physics

Medicine

Theoretical Chemistry

English

Shape-Controlling Effects of Hydrohalic and Carboxylic Acids in TiO2 Nanoparticle Synthesis

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

Implementation of the CCSD-PCM Linear Response Function for Frequency Dependent Properties in Solution: Application to Polarizability and Specific Rotation

The Relaxation Matrix for Symmetric Tops With Inversion Symmetry. I. Effects of Line Coupling on Self-Broadened Ν1 and Pure Rotational Bands of NH3

Effect of Glycerol and Dimethyl Sulfoxide on the Phase Behavior of Lysozyme: Theory and Experiments

Charge-Leveling and Proper Treatment of Long-Range Electrostatics in All-Atom Molecular Dynamics at Constant pH

Grafted Polymer Chains Suppress Nanoparticle Diffusion in Athermal Polymer Melts

Dynamical Cage Behaviour and Hydrogen Migration in Hydrogen and Hydrogen-Tetrahydrofuran Clathrate Hydrates

Obtaining Molecular Orientation From Second Harmonic and Sum Frequency Scattering Experiments in Water: Angular Distribution and Polarization Dependence

Comparing Steady State Photothermalization Dynamics in Copper and Gold Nanostructures

Pathways for Diffusion in the Potential Energy Landscape of the Network Glass Former SiO2

Shape-Controlling Effects of Hydrohalic and Carboxylic Acids in TiO2 Nanoparticle Synthesis