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

NIAID Data Ecosystem30

Research Data Supporting "Theory and Implementation of a Novel Stochastic Approach to Coupled Cluster"

量子化学计算

耦合簇蒙特卡洛

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

Zenodo2020-08-24 更新10

Gaussian Job Archive for C7H17ClO3

量子化学计算

有机化合物

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

Figshare2016-01-18 更新10