Compound

TE au

Ip eV

Ea eV

Adenine

−467.17488

6.4061

+1.2672

Guanine

−542.37704

6.1879

+1.2828

Guanine cation

−542.06199

11.91478

+6.5582

Cytosine

−394.82291

6.5819

+1.4768

Uracil

−414.70313

7.3316

+1.8626

S-ibuprofen in the stomach

−656.5408

6.6837

+0.8879

S-ibuprofen in the small intestine

−655.9788

0.9015

−1.4392