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

NIAID Data Ecosystem30

Global modelling of the observed line positions for the spectra of ultraviolet bands: Dunham coefficients for the A 2 Σ + excited state of the 16 OH molecule

分子光谱学

量子化学计算

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

NIAID Data Ecosystem10

Gaussian Job Archive for C5H10

量子化学计算

分子结构模拟

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

Figshare2016-01-19 更新10

Gaussian Job Archive for C42H48ClCuIN5

资源简介：

Gaussian Job Archive for C42H48ClCuIN5

资源简介：

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