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Publications in Theoretical Chemistry

Green-Kubo Measurement of Liquid-Solid Friction in Finite-Size Systems

Journal of Chemical Physics

Theoretical Chemistry

English

Electron-Phonon Interactions in MoS2 Probed With Ultrafast Two-Dimensional Visible/Far-Infrared Spectroscopy

Journal of Chemical Physics

Theoretical Chemistry

English

Optical Properties of Graphene Nanoflakes: Shape Matters

Journal of Chemical Physics

Theoretical Chemistry

English

Nuclear Quantum Effects of Light and Heavy Water Studied by All-Electron First Principles Path Integral Simulations

Journal of Chemical Physics

Theoretical Chemistry

English

An EQT-based cDFT Approach for Thermodynamic Properties of Confined Fluid Mixtures

Journal of Chemical Physics

Theoretical Chemistry

English

An Efficient Multi-Scale Green’s Function Reaction Dynamics Scheme

Journal of Chemical Physics

Theoretical Chemistry

English

How Close to Two Dimensions Does a Lennard-Jones System Need to Be to Produce a Hexatic Phase?

Journal of Chemical Physics

Theoretical Chemistry

English

Accurate Double Excitations From Ensemble Density Functional Calculations

Journal of Chemical Physics

Theoretical Chemistry

English

Nonlinear Dynamics of Spherical Particles in Poiseuille Flow Under Creeping-Flow Condition

Journal of Chemical Physics

Theoretical Chemistry

English

On the Solvation of the Phosphocholine Headgroup in an Aqueous Propylene Glycol Solution

Journal of Chemical Physics

Theoretical Chemistry

English