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Publications in Theoretical Chemistry

Lithium Hydroxide, LiOH, at Elevated Densities

Journal of Chemical Physics

Theoretical Chemistry

English

Predicting the Stability of Atom-Like and Molecule-Like Unit-Charge Coulomb Three-Particle Systems

Journal of Chemical Physics

Theoretical Chemistry

English

General Coalescence Conditions for the Exact Wave Functions. II. Higher-Order Relations for Many-Particle Systems

Journal of Chemical Physics

Theoretical Chemistry

English

Gaussian Process Regression for Geometry Optimization

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Fragment-Based Hamiltonian Model of Electronic Charge-Excitation Gaps and Gap Closure

Journal of Chemical Physics

Theoretical Chemistry

English

Low-Temperature Adsorption of H2S on Ag(111)

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Synperiplanar to Antiperiplanar Conformation Changes as Underlying the Mechanism of Debye Process in Supercooled Ibuprofen

Journal of Chemical Physics

Theoretical Chemistry

English

The Phase Behavior Study of Human Antibody Solution Using Multi-Scale Modeling

Journal of Chemical Physics

Theoretical Chemistry

English

Systematic Study of First-Row Transition-Metal Diatomic Molecules: A Self-Consistent DFT+U Approach

Journal of Chemical Physics

Theoretical Chemistry

English

Kinetics of the Γ–δ Phase Transition in Energetic Nitramine-Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine

Journal of Chemical Physics

Theoretical Chemistry

English