Research data underlying the manuscript "Exploitation of Baird aromaticity and Clar's rule for tuning the triplet energies of polycyclic aromatic hydrocarbons" Content (names of folders and files are
Research data supporting "Theory and Implementation of a Novel Stochastic Approach to Coupled Cluster". This dataset includes all outputs for diagrammatic Coupled Cluster Monte Carlo simulations on sy
A global treatment of the available experimental data on transition frequencies both in the A2Σ+state and in the A2Σ+−X2Π, and B2Σ+−A2Σ+ electronic systems of 16OH molecule was carried out. In this an