Discover open access scientific publications

Search, annotate, share and cite publications

Publications in Theoretical Chemistry

Omni-Conducting and Omni-Insulating Molecules

Journal of Chemical Physics

Theoretical Chemistry

English

Probing Dissociative Electron Attachment Through Heavy-Rydberg Ion-Pair Production in Rydberg Atom Collisions

Journal of Chemical Physics

Theoretical Chemistry

English

Molecular Geometries and Other Properties of H2O⋯AgI and H3N⋯AgI as Characterised by Rotational Spectroscopy and Ab Initio Calculations

Journal of Chemical Physics

Theoretical Chemistry

English

Computational Spectroscopy of Trehalose, Sucrose, Maltose, and Glucose: A Comprehensive Study of TDSS, NQR, NOE, and DRS

Journal of Chemical Physics

Theoretical Chemistry

English

Controlling Resonance Energy Transfer in Nanostructure Emitters by Positioning Near a Mirror

Journal of Chemical Physics

Theoretical Chemistry

English

Perspective: Stochastic Algorithms for Chemical Kinetics

Journal of Chemical Physics

Theoretical Chemistry

English

Exponential Parameterization of Wave Functions for Quantum Dynamics: Time-Dependent Hartree in Second Quantization

Journal of Chemical Physics

Theoretical Chemistry

English

Strong-Field Coherence Breaking as a Tool for Identifying Methyl Rotor States in Microwave Spectra: 2-Hexanone

Journal of Chemical Physics

Theoretical Chemistry

English

Constrained-Pairing Mean-Field Theory. III. Inclusion of Density Functional Exchange and Correlation Effects via Alternative Densities

Journal of Chemical Physics

Theoretical Chemistry

English

Electron Density Topological and Adsorbate Orbital Analyses of Water and Carbon Monoxide Co-Adsorption on Platinum

Journal of Chemical Physics

Theoretical Chemistry

English