Collection of the MBBs in the reaction graph of the glycolysis in Homo sapiens.

NIAID Data Ecosystem70

Data Supporting GoodVibes: Automating and applying thermodynamic corrections to harmonic frequency calculations

These files are provided in support of the use case in a recent manuscript showing the use of the Python package GoodVibes. This data set contains Gaussian optimization and frequency calculations on

NIAID Data Ecosystem60

Glycolonitrile TS27 connecting MIN1 and MIN10 of the CRN

量子化学计算

反应路径

DFT-calculated IRCs for TS27 connecting MIN1 and MIN10 of the glyconitrile CRN

NIAID Data Ecosystem30

Glycolonitrile TS27 connecting MIN1 and MIN10 of the CRN

资源简介：

相关数据集