Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Relating Normal Vibrational Modes to Local Vibrational Modes With the Help of an Adiabatic Connection Scheme

Journal of Chemical Physics

Theoretical Chemistry

English

The Origin of the Conductivity Maximum vs. Mixing Ratio in Pyridine/Acetic Acid and Water/Acetic Acid

Journal of Chemical Physics

Theoretical Chemistry

English

Perspective: Quantum Mechanical Methods in Biochemistry and Biophysics

Journal of Chemical Physics

Theoretical Chemistry

English

Mechanisms of Site-Specific Photochemistry Following Core-Shell Ionization of Chemically Inequivalent Carbon Atoms in Acetaldehyde (Ethanal)

Journal of Chemical Physics

Theoretical Chemistry

English

Toward Tuning the Surface Functionalization of Small Ceria Nanoparticles

Journal of Chemical Physics

Theoretical Chemistry

English

A Chain-Of-States Acceleration Method for the Efficient Location of Minimum Energy Paths

Journal of Chemical Physics

Theoretical Chemistry

English

Photoelectron Spectroscopy of B4O4−: Dual 3c-4e Π Hyperbonds and Rhombic 4c-4eo-Bond in Boron Oxide Clusters

Journal of Chemical Physics

Theoretical Chemistry

English

Communication: Band Bending at the Interface in Polyethylene-MgO Nanocomposite Dielectric

Journal of Chemical Physics

Theoretical Chemistry

English

Structural Quantities of Quasi-Two-Dimensional Fluids

Journal of Chemical Physics

Theoretical Chemistry

English

Examining Transition Metal Hydrosulfides: The Pure Rotational Spectrum of ZnSH (X̃2A′)

Journal of Chemical Physics

Theoretical Chemistry

English