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The bond was too rigid. By visualizing the molecular orbitals, he saw a slight overlap that was destabilizing the entire frame. He adjusted the coordinates, refining the geometry right there in the visualizer before sending the new data back to the supercomputer for a final run. Two hours later, the result flashed green. Converged.

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The official source for the is the developer’s portal, typically maintained by Grigory A. Zhurko. As of 2025, the official website is: The bond was too rigid

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