Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Sticking and Desorption of Hydrogen on Graphite: A Comparative Study of Different Models

Journal of Chemical Physics

Theoretical Chemistry

English

Freezing Effects of Oil-In-Water Emulsions Studied by Sum-Frequency Scattering Spectroscopy

Journal of Chemical Physics

Theoretical Chemistry

English

Surface Hopping With a Manifold of Electronic States. I. Incorporating Surface-Leaking to Capture Lifetimes

Journal of Chemical Physics

Theoretical Chemistry

English

O-Atom Transport Catalysis by Neutral Manganese Oxide Clusters in the Gas Phase: Reactions With CO, C2H4, NO2, and O2

Journal of Chemical Physics

Theoretical Chemistry

English

Pathway Structure Determination in Complex Stochastic Networks With Non-Exponential Dwell Times

Journal of Chemical Physics

Theoretical Chemistry

English

Erratum: “Generalized Elimination of the Global Translation From Explicitly Correlated Gaussian Functions” [J. Chem. Phys. 148, 084112 (2018)]

Journal of Chemical Physics

Theoretical Chemistry

English

Controlling Reactivity of Nanoporous Catalyst Materials by Tuning Reaction Product-Pore Interior Interactions: Statistical Mechanical Modeling

Journal of Chemical Physics

Theoretical Chemistry

English

Mayer-Sampling Monte Carlo Calculations of Uniquely Flexible Contributions to Virial Coefficients

Journal of Chemical Physics

Theoretical Chemistry

English

Modeling the Formation of Ordered Nano-Assemblies Comprised by Dendrimers and Linear Polyelectrolytes: The Role of Coulombic Interactions

Journal of Chemical Physics

Theoretical Chemistry

English

Inertial and Viscoelastic Forces on Rigid Colloids in Microfluidic Channels

Journal of Chemical Physics

Theoretical Chemistry

English