Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Influence of Mass and Potential Energy Surface Geometry on Roaming in Chesnavich’s CH4+ Model

Journal of Chemical Physics

Theoretical Chemistry

English

Comment on “On the Theoretical Determination of the Prigogine-Defay Ratio in Glass Transition” [J. Chem. Phys. 136, 124502 (2012)]

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Dielectric Properties of Condensed Systems Composed of Fragments

Journal of Chemical Physics

Theoretical Chemistry

English

Vibrational Förster Transfer to Hydrated Protons

Journal of Chemical Physics

Theoretical Chemistry

English

Modulus–pressure Equation for Confined Fluids

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Shock Adiabat of Atomic Nitrogen at Megabar Pressures

Journal of Chemical Physics

Theoretical Chemistry

English

Catalytic Conversion Reactions Mediated by Single-File Diffusion in Linear Nanopores: Hydrodynamic Versus Stochastic Behavior

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Non-Radiative Recombination via Conical Intersection at a Semiconductor Defect

Journal of Chemical Physics

Theoretical Chemistry

English

Ab Initio Instanton Rate Theory Made Efficient Using Gaussian Process Regression

Faraday Discussions

Theoretical Chemistry

English

Finite-Size Scaling Study of the Vapor-Liquid Critical Properties of Confined Fluids: Crossover From Three Dimensions to Two Dimensions

Journal of Chemical Physics

Theoretical Chemistry

English