: The ability to optimize molecular geometries, search for transition states, and perform conformational analysis.
Supports output files from major quantum chemistry packages including Gaussian , GAMESS, Firefly, Q-Chem, NWChem, ORCA, and Spartan. Useful Resources
The glow from Leo’s monitor was the only light in the cramped university dorm room. It was 3:14 AM, and the deadline for his computational chemistry dissertation was exactly forty-eight hours away. He had spent months running complex quantum calculations on Gaussian, but he was missing the crucial final step: he needed to visualize the molecular orbital energy-level diagrams and compare his calculated UV-VIS electronic spectra with the experimental data.
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