Gallery¶

Real QuantUI output — molecular orbitals, orbital energy-level diagrams, IR spectra, geometry optimizations, and live interactive 3D panels. Drag to rotate; press play on the trajectory and vibrational-mode viewers.

Cisplatin LUMO isosurface — **Cisplatin LUMO** Molecular-orbital isosurface, B3LYP / LANL2DZ (ECP on Pt and Cl).

Aspartame orbital energy-level diagram — **Aspartame orbital energies** Occupied/virtual energy levels, HOMO–LUMO gap 6.09 eV (B3LYP / 6-31G*).

**Benzene IR spectrum** Analytical Hessian, ωB97X-D / 6-31G — the four IR-active bands.

Cisplatin geometry-optimization energy convergence — **Geometry optimization** Cisplatin relaxing over 21 BFGS steps, B3LYP / LANL2DZ.

Interactive Optimization trajectory Cisplatin relaxing step by step — press play, drag to rotate. Open full ↗

Interactive Vibrational mode A benzene normal mode animated in 3D. Open full ↗