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Phys.org

Low-cost method uncovers conical intersections that steer light-driven molecular reactions

Low-cost method uncovers conical intersections that steer light-driven molecular reactions
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Conical intersections are crucial molecular switching points in light-driven reactions, but accurately predicting them usually requires computations. A researcher from Shibaura Institute of Technology has developed a new low-cost quantum chemistry method that can simultaneously describe ground and excited molecular states while efficiently locating these elusive structures. The approach reproduces

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