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Publications in Theoretical Chemistry

Role of Three-Body Interactions in Formation of Bulk Viscosity in Liquid Argon

Journal of Chemical Physics

Theoretical Chemistry

English

The Influence of a Single Thiol Group on the Electronic and Optical Properties of the Smallest Diamond Adamantane

Journal of Chemical Physics

Theoretical Chemistry

English

Excited Li and Na in Hen: Influence of the Dimer Potential Energy Curves

Journal of Chemical Physics

Theoretical Chemistry

English

Soft-Wall Induced Structure and Dynamics of Partially Confined Supercritical Fluids

Journal of Chemical Physics

Theoretical Chemistry

English

Interstitial Diffusion of O, N, and C in Α-Ti From First-Principles: Analytical Model and Kinetic Monte Carlo Simulations

Journal of Chemical Physics

Theoretical Chemistry

English

Effect of Binding on Escape From Cavity Through Narrow Tunnel

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Non-Additivity of Van Der Waals Interactions Between Nanostructures

Journal of Chemical Physics

Theoretical Chemistry

English

Preface: Special Topic on the Glass Transition

Journal of Chemical Physics

Theoretical Chemistry

English

Universal Correction for the Becke–Johnson Exchange Potential

Journal of Chemical Physics

Theoretical Chemistry

English

An Efficient Strategy to Estimate Thermodynamics and Kinetics of G Protein-Coupled Receptor Activation Using Metadynamics and Maximum Caliber

Journal of Chemical Physics

Theoretical Chemistry

English